SCHEMBL2335007

SCHEMBL2335007

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OCCc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.43
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
TYR P14679 1/20 0.39
MGLL Q99685 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7708 0.90 LPAR1 (0.54) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2635605 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2341771 0.88 LPAR1 (0.60) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2636083 0.86 LPAR1 (0.44) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3705982 0.86 LPAR1 (0.49) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2338531 0.84 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2636366 0.84 LPAR1 (0.60) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL343051 0.83 LPAR1 (0.56) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3706544 0.83 LPAR1 (0.47) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3702407 0.83 LPAR1 (0.50) LPAR1LPAR3LPAR2ABCC3ABCC4

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
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed