SCHEMBL8081344

SCHEMBL8081344

COc1c(C(=O)O)c(C(=O)O)c(-c2ccc(F)cc2)c2c3c(ccc12)OCO3

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
EDNRB P24530 6/20 0.41
TARBP2 Q15633 3/20 0.39
CDK2 P24941 1/20 0.39
EDNRA P25101 6/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8084890 0.90 EDNRA (0.45) EDNRBTARBP2CDK2EDNRAALDH1A1
SCHEMBL8084976 0.88 EDNRB (0.50) EDNRBEDNRAALDH1A1KDM4EHPGD
SCHEMBL8081363 0.85 PTGS2 (0.44) PTGS2EDNRBEDNRAALDH1A1KDM4E
SCHEMBL8072887 0.85 PTGS2 (0.43) PTGS2EDNRBEDNRAALDH1A1KDM4E
SCHEMBL8081515 0.80 EDNRA (0.45) EDNRBEDNRAALDH1A1KDM4EHPGD
SCHEMBL8081346 0.78 NPC1 (0.48) TARBP2EDNRAALDH1A1KDM4EHPGD
SCHEMBL8086663 0.78 PTGS2 (0.44) PTGS2TARBP2CDK2ALDH1A1KDM4E
SCHEMBL8080596 0.78 PTGS2 (0.42) PTGS2TARBP2ALDH1A1KDM4EHPGD
SCHEMBL8072861 0.76 PTGS2 (0.42) PTGS2TARBP2CDK2ALDH1A1KDM4E
SCHEMBL8467959 0.74 PTGS2 (0.42) PTGS2EDNRBALDH1A1KDM4EHPGD

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