SCHEMBL8086663

SCHEMBL8086663

COc1c2c(c(-c3ccc(F)cc3)c3c4c(ccc13)OCO4)C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
CDK2 P24941 2/20 0.41
NQO2 P16083 2/20 0.39
CYP19A1 P11511 1/20 0.39
TARBP2 Q15633 1/20 0.35
PTGS1 P23219 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR3C2 P08235 1/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL8080564 0.90 CDK2 (0.41) CDK2NQO2CYP19A1TARBP2MEN1
SCHEMBL8085195 0.88 MAPT (0.45) CDK2NQO2CYP19A1MEN1KMT2A
SCHEMBL8086666 0.85 PTGS2 (0.44) PTGS2CDK2NQO2CYP19A1PTGS1
SCHEMBL8072861 0.84 PTGS2 (0.42) PTGS2CDK2NQO2CYP19A1TARBP2
SCHEMBL8072409 0.79 NPC1 (0.38) CDK2NQO2CYP19A1MEN1KMT2A
SCHEMBL8081344 0.78 PTGS2 (0.42) PTGS2CDK2TARBP2MEN1KMT2A
SCHEMBL8085152 0.77 ALOX5 (0.38) CDK2NQO2MEN1KMT2AALDH1A1
SCHEMBL8086669 0.76 CYP19A1 (0.40) CDK2NQO2CYP19A1TARBP2ALDH1A1
SCHEMBL8072741 0.74 ALOX5 (0.38) CDK2NQO2CYP19A1TARBP2ALDH1A1
SCHEMBL8084885 0.74 PTGS2 (0.44) PTGS2CDK2MEN1KMT2ASMN1; SMN2

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