SCHEMBL6288

SCHEMBL6288

CCN(C(=O)CCc1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB4 P21439 1/20 0.47
LPAR1 Q92633 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
TAS2R8 Q9NYW2 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7338 0.92 ABCC3 (0.41) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6601 0.91 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7339 0.90 LPAR1 (0.45) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6149 0.89 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6506 0.84 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL4934 0.83 LPAR1 (0.46) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6649 0.83 ABCC3 (0.42) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7228 0.83 LPAR1 (0.48) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14518 0.82 LPAR1 (0.54) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7652 0.82 LPAR1 (0.54) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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