SCHEMBL8080596

SCHEMBL8080596

COC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)c2c3c(ccc2c1C)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
TARBP2 Q15633 2/20 0.39
SLC6A3 Q01959 2/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GCGR P47871 1/20 0.36
CASP3 P42574 3/20 0.36
SENP7 Q9BQF6 3/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
DHODH Q02127 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GFER P55789 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
SCHEMBL8081438 0.85 PTGS2 (0.36) PTGS2ALDH1A1HPGDKDM4EATM
SCHEMBL8081363 0.85 PTGS2 (0.44) PTGS2ALDH1A1HPGDKDM4ECASP3
SCHEMBL8080528 0.84 PTGS2 (0.41) PTGS2ALDH1A1HPGDKDM4EATM
SCHEMBL8081344 0.78 PTGS2 (0.42) PTGS2ALDH1A1HPGDKDM4ETARBP2
SCHEMBL8081346 0.78 NPC1 (0.48) ALDH1A1HPGDKDM4EATMTARBP2
SCHEMBL8072887 0.76 PTGS2 (0.43) PTGS2ALDH1A1KDM4ENPC1CASP3
SCHEMBL8467959 0.76 PTGS2 (0.42) PTGS2ALDH1A1HPGDKDM4ELMNA
SCHEMBL8072765 0.75 PTGS2 (0.45) PTGS2ALDH1A1HPGDNPC1GCGR
SCHEMBL9860617 0.74 SLC10A2 (0.48) ALDH1A1HPGDKDM4ETARBP2LMNA
SCHEMBL8085133 0.74 KDM4E (0.41) ALDH1A1HPGDKDM4EATMLMNA

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