SCHEMBL3715780

SCHEMBL3715780

CCOC(=O)Cc1ccc(Cc2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 2/20 0.44
NLRP3 Q96P20 3/20 0.39
SLC26A6 Q9BXS9 1/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 3/20 0.35
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL2335478 0.97 LPAR1 (0.51) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3702206 0.94 LPAR1 (0.47) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3708490 0.94 LPAR1 (0.43) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3703092 0.93 LPAR1 (0.46) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3712525 0.91 LPAR1 (0.57) LPAR1LPAR3LPAR2SLC26A6ABCC3
SCHEMBL3707585 0.91 LPAR1 (0.53) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3705664 0.90 LPAR1 (0.47) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3704739 0.90 LPAR1 (0.42) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL2341940 0.90 LPAR1 (0.42) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL3705147 0.89 LPAR1 (0.43) LPAR1LPAR3LPAR2NLRP3SLC26A6

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