SCHEMBL2334028

SCHEMBL2334028

CCOC(=O)Cc1ccc(F)c(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SCN9A Q15858 6/20 0.38
SCN5A Q14524 4/20 0.38
NLRP3 Q96P20 2/20 0.36
ALOX15 P16050 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
SLC26A6 Q9BXS9 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 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
SCHEMBL3713875 0.94 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2336526 0.92 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2338548 0.91 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2342069 0.90 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2339547 0.90 LPAR1 (0.56) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3715787 0.88 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3707585 0.88 LPAR1 (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2338066 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3706736 0.87 LPAR1 (0.50) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3714447 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed