SCHEMBL6557

SCHEMBL6557

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CCCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.49
CYP2C9 P11712 3/20 0.49
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP2C8 P10632 1/20 0.49
ABCB4 P21439 1/20 0.49
ABCC2 Q92887 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
TAS2R8 Q9NYW2 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
HDAC1 Q13547 1/20 0.36
APP P05067 2/20 0.36
CYP2C19 P33261 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1B10 O60218 1/20 0.35

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
SCHEMBL1043 0.89 LPAR1 (0.52) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6674 0.88 LPAR1 (0.53) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6489 0.87 OPRM1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1149 0.84 OPRM1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597727 0.84 LPAR1 (0.49) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597737 0.83 LPAR1 (0.52) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1597 0.83 LPAR1 (0.56) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597807 0.83 LPAR1 (0.52) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL13719364 0.83 LPAR1 (0.50) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597840 0.83 LPAR1 (0.50) LPAR1CYP2C9ABCC3ABCC4ABCB11

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