SCHEMBL3701872

SCHEMBL3701872

CCOC(=O)Cc1cccc(Sc2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.39
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 2/20 0.37
NLRP3 Q96P20 3/20 0.37
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
SLC26A6 Q9BXS9 1/20 0.34
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3703092 0.93 LPAR1 (0.46) LPAR1LPAR3LPAR2NLRP3PPARG
SCHEMBL3706562 0.92 LPAR1 (0.47) LPAR1LPAR3LPAR2PPARGPPARA
SCHEMBL3706582 0.89 LPAR1 (0.40) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL2335478 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3708490 0.86 LPAR1 (0.43) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3715780 0.86 LPAR1 (0.47) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3702317 0.85 LPAR1 (0.55) LPAR1LPAR3LPAR2SLC26A6ABCC3
SCHEMBL3702206 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3711917 0.84 LPAR1 (0.52) LPAR1LPAR3LPAR2NLRP3ABCC3
SCHEMBL16496276 0.84 LPAR1 (0.52) LPAR1LPAR3LPAR2NLRP3ABCC3

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