SCHEMBL3706582

SCHEMBL3706582

CCOC(=O)Cc1ccccc1Sc1ccc(-c2onc(C)c2NC(=O)OCCc2ccccc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.40
NLRP3 Q96P20 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP12 P39900 4/20 0.37
MMP14 P50281 1/20 0.37
LPAR2 Q9HBW0 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
SLC26A6 Q9BXS9 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
MAPT P10636 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
SCHEMBL3704748 0.92 MMP2 (0.46) LPAR1LPAR3MMP2MMP9MMP12
SCHEMBL3703092 0.91 LPAR1 (0.46) LPAR1NLRP3LPAR3LPAR2L3MBTL1
SCHEMBL3701872 0.89 LPAR1 (0.39) LPAR1NLRP3LPAR3LPAR2L3MBTL1
SCHEMBL2335478 0.87 LPAR1 (0.51) LPAR1NLRP3LPAR3LPAR2L3MBTL1
SCHEMBL3711998 0.85 LPAR1 (0.51) LPAR1NLRP3LPAR3MMP2MMP9
SCHEMBL16496115 0.85 LPAR1 (0.51) LPAR1NLRP3LPAR3MMP2MMP9
SCHEMBL3715780 0.85 LPAR1 (0.47) LPAR1NLRP3LPAR3LPAR2L3MBTL1
SCHEMBL3702317 0.85 LPAR1 (0.55) LPAR1LPAR3MMP2MMP9MMP12
SCHEMBL3702206 0.85 LPAR1 (0.47) LPAR1NLRP3LPAR3LPAR2L3MBTL1
SCHEMBL3706562 0.83 LPAR1 (0.47) LPAR1LPAR3MMP2MMP9MMP12

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