SCHEMBL4845570

SCHEMBL4845570

c1ccc2c3c4c(cccc4cc2c1)-c1ccc-3cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
NQO2 P16083 2/20 0.47
ALOX5 P09917 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 2/20 0.46
HIF1A Q16665 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ERBB2 P04626 1/20 0.46
CYP1A2 P05177 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
ANPEP P15144 1/20 0.43
GPR84 Q9NQS5 6/20 0.41
KDM4E B2RXH2 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
SCHEMBL2519749 0.94 CES1 (0.59) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL29640868 0.92 CES1 (0.53) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL710313 0.92 CES1 (0.53) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL25125399 0.89 GPR84 (0.50) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL25125398 0.89 GPR84 (0.50) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL21358003 0.87 CES1 (0.56) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL4853415 0.87 CES1 (0.46) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL27874728 0.87 CES1 (0.51) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL29034309 0.87 CES1 (0.51) CES1NQO2ALOX5ALDH1A1HPGD
SCHEMBL19805224 0.86 CES1 (0.48) CES1NQO2ALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed