SCHEMBL6286

SCHEMBL6286

CCN(C(=O)C(C)c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.52
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
ABCB4 P21439 1/20 0.52
ABCC2 Q92887 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
TSHR P16473 2/20 0.39
HRH1 P35367 1/20 0.37
POLB P06746 1/20 0.36
LPAR3 Q9UBY5 2/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 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
SCHEMBL7680 0.91 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7336 0.91 ABCC3 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6601 0.83 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7473 0.83 ABCC3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6288 0.81 ABCC3 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18597715 0.81 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6506 0.80 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6612 0.78 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14405 0.78 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6556 0.77 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8

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