SCHEMBL8084890

SCHEMBL8084890

COc1ccc(-c2c(C(=O)O)c(C(=O)O)c(OC)c3ccc4c(c23)OCO4)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
EDNRB P24530 5/20 0.42
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TARBP2 Q15633 1/20 0.40
PREP P48147 1/20 0.39
CDK2 P24941 1/20 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
SCHEMBL8081344 0.90 PTGS2 (0.42) EDNRAKDM4EALDH1A1HPGDEDNRB
SCHEMBL8081515 0.90 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDEDNRB
SCHEMBL8084976 0.89 EDNRB (0.50) EDNRAKDM4EALDH1A1HPGDEDNRB
SCHEMBL8081346 0.88 NPC1 (0.48) EDNRAKDM4EALDH1A1HPGDNPC1
SCHEMBL8072530 0.79 GPR35 (0.46) EDNRAKDM4EALDH1A1HPGDEDNRB
SCHEMBL8086669 0.79 CYP19A1 (0.40) EDNRAALDH1A1HPGDEDNRBNPC1
SCHEMBL8080564 0.78 CDK2 (0.41) EDNRAKDM4EALDH1A1HPGDEDNRB
SCHEMBL8472452 0.76 SMN1; SMN2 (0.48) EDNRAKDM4EALDH1A1HPGDEDNRB
SCHEMBL8072741 0.75 ALOX5 (0.38) EDNRAALDH1A1HPGDNPC1TARBP2
SCHEMBL8081363 0.75 PTGS2 (0.44) EDNRAKDM4EALDH1A1HPGDEDNRB

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