SCHEMBL8072500

SCHEMBL8072500

N#CCc1c(C(=O)O)cc2ccc3c(c2c1-c1ccc(F)cc1)OCO3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CDK2 P24941 1/20 0.33
CTNNB1 P35222 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 2/20 0.33
DHODH Q02127 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
FABP4 P15090 1/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL8072485 0.85 ALOX5 (0.44) PTGS2ALDH1A1HPGDALOX15TSHR
SCHEMBL8081514 0.79 TARBP2 (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8081497 0.79 TARBP2 (0.39) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8085093 0.78 KDM4E (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8468564 0.77 TARBP2 (0.39) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL7655215 0.76 PTGS2 (0.41) PTGS2TP53HSP90AA1HSP90AB1KMT2A
SCHEMBL2955149 0.76 ALOX5 (0.51) ALDH1A1HPGDMAPK1CTNNB1TP53
SCHEMBL2955144 0.76 ALOX5 (0.51) ALDH1A1HPGDMAPK1CTNNB1TP53
SCHEMBL8085083 0.75 ALOX5 (0.55) PTGS2ALDH1A1HPGDALOX15TSHR
SCHEMBL8081276 0.74 ALDH1A1 (0.33) PTGS2ALDH1A1HPGDALOX15TSHR

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 3 patents. 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
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed