SCHEMBL4147906

SCHEMBL4147906

C=CC(=O)OC(C)CCc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 4/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33

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
SCHEMBL5072344 0.89 NPC1 (0.45) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL8082025 0.85 NPC1 (0.34) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL8090227 0.84 NPC1 (0.32) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL23122748 0.82 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29378372 0.81 APP (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL259532 0.81 APP (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL28926951 0.81 NPC1 (0.43) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL4195747 0.80 LMNA (0.43) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29514790 0.80 LMNA (0.43) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL26049543 0.79 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265301-A1 INK-JET INK NIPPON SHOKUBAI CO., LTD. (JP) 2023-08-24 US disclosed
WO-2021024999-A1 EMULSION PARTICLE-CONTAINING AQUEOUS DISPERSION 株式会社日本触媒 2021-02-11 WO disclosed
CN-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed
US-20090247662-A1 Contact Lens Material MATSUMOTO MASAHIRO 2009-10-01 US disclosed
EP-1497377-A4 EMULSION POLYMER RESIN COMPOSITION NIPPON CATALYTIC CHEM IND (JP) 2007-04-25 EP disclosed
EP-1497377-A1 EMULSION POLYMER RESIN COMPOSITION Nippon Shokubai Co., Ltd. (JP) 2005-01-19 EP disclosed
WO-2003091341-A1 EMULSION POLYMER RESIN COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-06 WO disclosed
EP-0584826-A2 Ocular lens material Menicon Co., Ltd. (JP) 1994-03-02 EP disclosed