SCHEMBL2336265

SCHEMBL2336265

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3N(C(=O)OCC)c3c(Cl)cccc3Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SYK P43405 1/20 0.35
RAB9A P51151 1/20 0.35
KLK7 P49862 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2334787 0.92 LPAR1 (0.49) LPAR1ALDH1A1LPAR2LPAR3HTT
SCHEMBL2339543 0.90 LPAR1 (0.42) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL3706822 0.88 ALDH1A1 (0.37) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL3707582 0.87 LPAR1 (0.39) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL3709586 0.86 LPAR1 (0.38) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL2335059 0.86 LPAR1 (0.41) LPAR1ALDH1A1LPAR2LPAR3L3MBTL1
SCHEMBL3714445 0.85 LPAR1 (0.38) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL2337997 0.85 ALDH1A1 (0.43) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL2336634 0.85 LPAR1 (0.43) LPAR1ALDH1A1LPAR2LPAR3ALOX15
SCHEMBL2338062 0.85 LPAR1 (0.38) LPAR1ALDH1A1LPAR2LPAR3ALOX15

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