SCHEMBL654030

SCHEMBL654030

O=Cc1c(OCC2CO2)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 2/20 0.57
GAA P10253 2/20 0.57
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 4/20 0.48
GLA P06280 1/20 0.48
ERN1 O75460 1/20 0.43
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30360584 1.00 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL22163944 1.00 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13986687 0.86 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL22171036 0.85 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL26071857 0.83 L3MBTL1 (0.61) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL651802 0.83 HPGD (0.61) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL10019290 0.83 HPGD (0.61) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL30026680 0.81 TDP1 (0.54) MAPTSMN1; SMN2TDP1GAAADRB2
SCHEMBL10010232 0.81 TDP1 (0.54) MAPTSMN1; SMN2TDP1GAAADRB2
SCHEMBL29535540 0.80 ALDH1A1 (0.53) MAPTSMN1; SMN2TDP1GAAADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227155-B Rubber composition based on at least one compound bearing cyclic carbonate functions 米其林集团总公司 2023-04-18 CN disclosed
EP-3902791-B1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS MICHELIN & CIE (FR) 2023-02-08 EP disclosed
EP-3902791-A1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-11-03 EP disclosed
CN-113227155-A Rubber composition based on at least one compound bearing cyclic carbonate functions 米其林集团总公司 2021-08-06 CN disclosed
WO-2020136330-A1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
WO-2020136332-A1 RUBBER COMPOSITIONS BASED ON AT LEAST ONE COMPOUND BEARING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
WO-2020136330-A1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
WO-2020136331-A1 GRAFTED POLYMER BEARING PENDENT CYCLIC CARBONATE FUNCTIONAL GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
WO-2020136331-A1 GRAFTED POLYMER BEARING PENDENT CYCLIC CARBONATE FUNCTIONAL GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
WO-2020136332-A1 RUBBER COMPOSITIONS BASED ON AT LEAST ONE COMPOUND BEARING CYCLIC CARBONATE FUNCTIONS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-07-02 WO disclosed
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 US disclosed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 US disclosed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 US disclosed
US-5011918-A Siloxane Derivatives Are Useful In Glass Fiber Sizing Compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-04-30 US disclosed
US-4929670-A GLASS SIZING COMPOSITIONS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1990-05-29 US disclosed
US-4839449-A SIZING COMPOSITION FOR GLASS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-06-13 US disclosed
EP-0314063-A2 Polysaccharides containing aromatic aldehydes and their derivatization via amine-aldehyde interactions National Starch and Chemical Corporation (US) 1989-05-03 EP disclosed