SCHEMBL8085173

SCHEMBL8085173

O=C(O)c1c(C(=O)O)c(-c2ccc3c(c2)OCO3)c2c3c(ccc2c1O)OCO3

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
EDNRB P24530 8/20 0.44
EDNRA P25101 8/20 0.44
KDM4E B2RXH2 3/20 0.42
CTNNB1 P35222 1/20 0.42
SRD5A2 P31213 1/20 0.42
HPGD P15428 1/20 0.41
ERN1 O75460 1/20 0.41
TP53 P04637 1/20 0.41
DHODH Q02127 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 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
SCHEMBL8081905 0.88 ALOX5 (0.45) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8072887 0.86 PTGS2 (0.43) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8072411 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8084976 0.85 EDNRB (0.50) ALDH1A1EDNRBEDNRAKDM4EHPGD
SCHEMBL8081515 0.83 EDNRA (0.45) ALDH1A1EDNRBEDNRAKDM4EHPGD
SCHEMBL8072416 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL2952186 0.81 PRKCI (0.52) ALDH1A1MAPK1KDM4EHPGDTP53
SCHEMBL31634577 0.79 ALOX5 (0.51) ALDH1A1EDNRBEDNRAKDM4EHPGD
SCHEMBL2957205 0.79 CTNNB1 (0.46) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8086569 0.78 RAB9A (0.44) ALDH1A1EDNRBEDNRAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed