SCHEMBL8086669

SCHEMBL8086669

COc1ccc(-c2c3c(c(OC)c4ccc5c(c24)OCO5)C(=O)OC3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EDNRA P25101 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSL P07711 1/20 0.37

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 0.85 CDK2 (0.41) CYP19A1NQO2LMNAMAPTSMN1; SMN2
SCHEMBL8072741 0.81 ALOX5 (0.38) CYP19A1NQO2LMNAMAPTSMN1; SMN2
SCHEMBL8084890 0.79 EDNRA (0.45) ALDH1A1HPGDNPC1EDNRAEDNRB
SCHEMBL8081346 0.78 NPC1 (0.48) MAPTSMN1; SMN2ALDH1A1CYP3A4HPGD
SCHEMBL8072409 0.76 NPC1 (0.38) CYP19A1NQO2LMNAMAPTSMN1; SMN2
SCHEMBL8086663 0.76 PTGS2 (0.44) CYP19A1NQO2LMNAMAPTSMN1; SMN2
SCHEMBL8085195 0.74 MAPT (0.45) CYP19A1NQO2LMNAMAPTSMN1; SMN2
SCHEMBL8081515 0.73 EDNRA (0.45) ALDH1A1CYP3A4HPGDNPC1RAB9A
SCHEMBL8085294 0.72 ALOX5 (0.38) CYP19A1NQO2LMNAMAPTSMN1; SMN2
SCHEMBL8072861 0.71 PTGS2 (0.42) CYP19A1NQO2LMNAMAPTSMN1; 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