SCHEMBL2336634

SCHEMBL2336634

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
ACR P10323 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.33
FTO Q9C0B1 1/20 0.33
HPGD P15428 2/20 0.33
KLK7 P49862 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 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
SCHEMBL2339543 0.94 LPAR1 (0.42) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3708634 0.93 ALDH1A1 (0.42) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3707582 0.91 LPAR1 (0.39) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3700510 0.91 LPAR1 (0.36) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL2338262 0.91 LPAR1 (0.50) LPAR1LPAR2LPAR3HTT
SCHEMBL3714445 0.89 LPAR1 (0.38) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3709586 0.89 LPAR1 (0.38) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3713548 0.88 LPAR1 (0.37) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3717698 0.88 P2RX3 (0.38) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL3704161 0.87 LPAR1 (0.47) LPAR1LPAR2LPAR3ALDH1A1HTT

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 4 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
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