SCHEMBL2334208

SCHEMBL2334208

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccc(Cl)cc3F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.45
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 2/20 0.45
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.39
KLK7 P49862 4/20 0.39
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.35
HTT P42858 2/20 0.35
GALR3 O60755 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.34
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2338009 0.93 LPAR1 (0.49) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL2337499 0.92 LPAR1 (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3705977 0.92 LPAR1 (0.45) LPAR1LPAR3LPAR2MAPTKLK7
SCHEMBL2340994 0.90 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL3702507 0.88 LPAR1 (0.45) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL2335478 0.88 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL2339547 0.85 LPAR1 (0.56) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL3705664 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3715780 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTALDH1A1
SCHEMBL3702206 0.84 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTKLK7

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