SCHEMBL8082276

SCHEMBL8082276

O=C(O)c1cc2ccc3c(c2c(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)OCO3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.38
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTNNB1 P35222 1/20 0.35
MAOB P27338 1/20 0.35
CDK2 P24941 1/20 0.35
TP53 P04637 3/20 0.35
DHODH Q02127 1/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 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
SCHEMBL2957205 0.85 CTNNB1 (0.46) FABP4KMT2ACTNNB1TP53DHODH
Ammonia Solution, Strong SCHEMBL6532360 0.84 CTNNB1 (0.46) FABP4KMT2ACTNNB1CDK2TP53
SCHEMBL8072530 0.83 GPR35 (0.46) KMT2ANPC1RAB9AALDH1A1POLB
SCHEMBL2952044 0.78 PARP1 (0.46) FABP4KMT2ANPC1RAB9ACTNNB1
SCHEMBL7656276 0.78 P2RY14 (0.46) GPR35
SCHEMBL8086618 0.76 ALOX5 (0.52) KMT2AMAOBFAAHALDH1A1CA12
SCHEMBL2954675 0.75 FABP3 (0.40) FABP4KMT2ACTNNB1TP53DHODH
SCHEMBL2955515 0.75 ALDH1A1 (0.47) FABP4KMT2ANPC1RAB9ACTNNB1
SCHEMBL2960487 0.75 NPC1 (0.41) FABP4NPC1RAB9ACTNNB1TP53
SCHEMBL2954105 0.75 ALDH1A1 (0.49) FABP4KMT2ANPC1RAB9ACTNNB1

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