SCHEMBL10250

SCHEMBL10250

Cc1noc(-c2ccccc2-c2ccc(C3(C(=O)O)CC3)cc2)c1Nc1cccc(OC2CCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.46
CYP2C9 P11712 2/20 0.46
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
CYP2C8 P10632 1/20 0.46
ABCB4 P21439 1/20 0.46
ABCC2 Q92887 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
LPAR3 Q9UBY5 8/20 0.44
APP P05067 2/20 0.35
FFAR4 Q5NUL3 3/20 0.33
NR1H4 Q96RI1 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
SCHEMBL10390 0.98 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL10249 0.92 LPAR1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4144 0.92 LPAR1 (0.52) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9937 0.91 LPAR1 (0.37) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL10389 0.90 LPAR1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4349 0.89 LPAR1 (0.51) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9957 0.87 LPAR1 (0.48) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9693 0.86 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9936 0.86 DGAT2 (0.36) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9521 0.85 LPAR1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed