SCHEMBL2338009

SCHEMBL2338009

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccc(Cl)cc3Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.49
LPAR3 Q9UBY5 3/20 0.49
LPAR2 Q9HBW0 2/20 0.49
HTT P42858 3/20 0.42
CYP3A4 P08684 2/20 0.42
GALR3 O60755 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KLK7 P49862 2/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN5A Q14524 1/20 0.37

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
SCHEMBL2334208 0.93 LPAR1 (0.45) LPAR1LPAR3LPAR2HTTCYP3A4
SCHEMBL2333297 0.91 LPAR1 (0.59) LPAR1LPAR3LPAR2HTTCYP3A4
SCHEMBL2339547 0.90 LPAR1 (0.56) LPAR1LPAR3LPAR2HTTSMN1; SMN2
SCHEMBL3707585 0.86 LPAR1 (0.53) LPAR1LPAR3LPAR2HTTSMN1; SMN2
SCHEMBL2336267 0.86 LPAR1 (0.54) LPAR1LPAR3LPAR2HTTCYP1A2
SCHEMBL3709587 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2HTTALDH1A1
SCHEMBL3705977 0.85 LPAR1 (0.45) LPAR1LPAR3LPAR2CYP1A2CYP2C19
SCHEMBL3702507 0.85 LPAR1 (0.45) LPAR1LPAR3LPAR2CYP1A2CYP2C19
SCHEMBL3713550 0.85 LPAR1 (0.50) LPAR1LPAR3LPAR2HTTSMN1; SMN2
SCHEMBL3714447 0.85 LPAR1 (0.51) LPAR1LPAR3LPAR2HTTSMN1; SMN2

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed