SCHEMBL3706444

SCHEMBL3706444

Cc1noc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)c1NC(=O)OCCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
LPAR2 Q9HBW0 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
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
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL2336149 0.85 LPAR1 (0.49) LPAR1LPAR3SMN1; SMN2LPAR2NPC1
SCHEMBL3700989 0.81 LPAR1 (0.46) LPAR1LPAR3SMN1; SMN2LPAR2NPC1
SCHEMBL3708503 0.81 LPAR1 (0.45) LPAR1LPAR3SMN1; SMN2LPAR2NPC1
SCHEMBL3707343 0.80 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL16497042 0.80 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2341435 0.80 LPAR1 (0.53) LPAR1LPAR3SMN1; SMN2RECQLLPAR2
SCHEMBL3705737 0.78 KDM4C (0.43) LPAR1LPAR3SMN1; SMN2LPAR2NPC1
SCHEMBL3714247 0.78 LPAR1 (0.46) LPAR1LPAR3LPAR2NPC1RAB9A
SCHEMBL3714449 0.78 LPAR1 (0.58) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335320 0.77 LPAR1 (0.53) LPAR1LPAR3SMN1; SMN2LPAR2MEN1

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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed