SCHEMBL7175

SCHEMBL7175

Cc1noc(-c2ccc(-c3cccc(CC4(C(=O)O)CC4)c3)cc2)c1CCCC(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
S1PR1 P21453 10/20 0.35
LPAR3 Q9UBY5 1/20 0.34
S1PR3 Q99500 7/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL7190 0.92 LPAR1 (0.40) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7174 0.87 ALDH1A1 (0.36) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7242 0.84 LIPG (0.44) LPAR1SLCO1B1PPARGPPARAS1PR1
SCHEMBL6416 0.81 LPAR1 (0.40) LPAR1ALDH1A1HDAC1S1PR1LPAR3
SCHEMBL1597 0.81 LPAR1 (0.56) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7188 0.79 LPAR1 (0.38) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7481 0.78 LPAR1 (0.55) LPAR1ABCC4ALDH1A1MAPTS1PR1
SCHEMBL6889 0.77 FFAR1 (0.46) LPAR1PPARGPPARAALDH1A1S1PR1
SCHEMBL6861 0.77 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7250 0.77 PPARG (0.46) LPAR1PPARGPPARAALDH1A1S1PR1

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
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed