SCHEMBL5885833

SCHEMBL5885833

OCc1cc(-c2ccccc2)c(CO)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
BACE1 P56817 1/20 0.52
ALOX5 P09917 1/20 0.44
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
BCL2L1 Q07817 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
TDO2 P48775 1/20 0.42
FOLH1 Q04609 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NOTUM Q6P988 3/20 0.41
ESR2 Q92731 1/20 0.40

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
SCHEMBL2096544 0.81 PDCD1 (0.47) PDCD1CD274BACE1ALOX5ALDH1A1
SCHEMBL17885772 0.81 PDCD1 (0.49) PDCD1CD274BACE1ALDH1A1HPGD
SCHEMBL10320849 0.80 PDCD1 (0.46) PDCD1CD274BACE1ALOX5DPP4
SCHEMBL3628752 0.80 ALOX5 (0.63) PDCD1CD274BACE1ALOX5DPP4
SCHEMBL2861280 0.80 TSHR (0.46) PDCD1CD274BACE1TSHRFOLH1
SCHEMBL2865461 0.80 TSHR (0.46) PDCD1CD274BACE1ALOX5DPP4
SCHEMBL30826353 0.79 PDCD1 (0.65) PDCD1CD274BACE1DPP4ALDH1A1
SCHEMBL117091 0.79 PDCD1 (0.65) PDCD1CD274BACE1DPP4ALDH1A1
SCHEMBL25384655 0.78 PDCD1 (0.44) PDCD1CD274BACE1ALOX5DPP4
SCHEMBL3781311 0.78 PTGDR2 (0.50) PDCD1CD274BACE1DPP4ALDH1A1

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-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed
EP-1232225-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS (DE) 2004-12-01 EP disclosed
EP-1232225-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES Covion Organic Semiconductors GmbH (DE) 2002-08-21 EP disclosed
WO-2001034722-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2001-05-17 WO disclosed