SCHEMBL3708552

SCHEMBL3708552

Cc1noc(-c2cccc(C3CCC(C(=O)O)CC3)c2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMURF2 Q9HAU4 2/20 0.37
SMURF1 Q9HCE7 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL3700498 0.92 SCN9A (0.40) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3712506 0.91 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL1246319 0.87 SCN9A (0.53) SCN9ASCN5AKDM4EMAPTALDH1A1
SCHEMBL3707275 0.83 LPAR1 (0.40) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3712822 0.83 LPAR1 (0.43) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3702732 0.82 LPAR1 (0.60) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3713322 0.82 LPAR1 (0.47) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3708503 0.81 LPAR1 (0.45) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3708661 0.80 LPAR1 (0.55) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3711311 0.80 LPAR1 (0.43) LPAR1LPAR3LPAR2SCN9ASCN5A

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