SCHEMBL13505652

SCHEMBL13505652

CCCCC(C(=O)O)C(=O)OC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
KCNH2 Q12809 2/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1A O00555 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNB1 Q02641 1/20 0.33
IDH1 O75874 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
F2R P25116 2/20 0.31
KMT2A Q03164 2/20 0.30
VCAM1 P19320 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL13505657 0.96 GAA (0.35) GAAKCNH2XBP1ATMNPSR1
SCHEMBL21239974 0.82 IDH1 (0.33) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL25630 0.80 GAA (0.33) GAAKCNH2XBP1ATMNPSR1
SCHEMBL1345179 0.76 IDH1 (0.33) GAAKCNH2XBP1ATMNPSR1
SCHEMBL5795097 0.76 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL23544539 0.75 GAA (0.35) GAAKCNH2XBP1ATMNPSR1
SCHEMBL172351 0.75 GAA (0.35) GAAKCNH2XBP1ATMNPSR1
SCHEMBL15726088 0.75 CACNA1A (0.35) GAAKCNH2XBP1ATMNPSR1
SCHEMBL3450269 0.75 GAA (0.37) GAAKCNH2XBP1ATMNPSR1
SCHEMBL7030387 0.75 IDH1 (0.35) GAAKCNH2CACNA1ACACNA2D1CACNB1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812061-B Method of converting a polymerizable composition into thermoplastic polyurethane of improved yellowness index and article obtained by this method ESSILOR INT 2014-11-26 CN claimed
EP-2516494-A1 METHOD OF CONVERTING A POLYMERIZABLE COMPOSITION INTO THERMOPLASTIC POLYURETHANE OF IMPROVED YELLOWNESS INDEX AND ARTICLE OBTAINED BY THIS METHOD Essilor International (Compagnie Générale D'Optique) (FR) 2012-10-31 EP claimed
WO-2023215434-A1 FIBER REINFORCED THERMOPLASTIC POLYMER COMPOSITION WITH FLAME RETARDANT PROPERTIES CELANESE INTERNATIONAL CORPORATION (US) 2023-11-09 WO disclosed
EP-3953407-A1 TWO-COMPONENT POLYURETHANE COATINGS HAVING IMPROVED POT LIFE WITHOUT A LOSS OF WEATHERING RESISTANCE Covestro Intellectual Property GmbH & Co. KG (DE) 2022-02-16 EP disclosed
WO-2021095506-A1 RESIN COMPOSITION AND MOLDED ARTICLE THEREOF 帝人株式会社 2021-05-20 WO disclosed
WO-2021070741-A1 RESIN COMPOSITION 帝人株式会社 2021-04-15 WO disclosed
WO-2020207898-A1 TWO-COMPONENT POLYURETHANE COATINGS HAVING IMPROVED POT LIFE WITHOUT A LOSS OF WEATHERING RESISTANCE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2020-10-15 WO disclosed
EP-3655456-A1 COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATE (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2020-05-27 EP disclosed
WO-2020008912-A1 PHOTOCURABLE INK FOR OPTICAL SHEET JNC株式会社 2020-01-09 WO disclosed
WO-2018108688-A1 BOIL OUT MODELLING MATERIAL IVOCLAR VIVADENT AG (LI) 2018-06-21 WO disclosed
EP-1680712-B1 PHOTOCURABLE COMPOSITION FOR PRODUCING CURED ARTICLES HAVING HIGH CLARITY AND IMPROVED MECHANICAL PROPERTIES 3D SYSTEMS INC (US) 2016-01-20 EP disclosed
CN-103709442-B Stabilizer and composition comprising the same Double bond chemical (Shanghai) Co.,Ltd. (CN) 2016-01-06 CN disclosed
CN-102812061-B Method of converting a polymerizable composition into thermoplastic polyurethane of improved yellowness index and article obtained by this method ESSILOR INT 2014-11-26 CN disclosed
CN-101434682-B Polymer resin composition SUMITOMO CHEMICAL CO 2014-04-09 CN disclosed