SCHEMBL6514

SCHEMBL6514

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4CCCC(NC(C)=O)c4ccccc4)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
CYP2C9 P11712 2/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
ABCB4 P21439 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
GAA P10253 1/20 0.39
FFAR4 Q5NUL3 1/20 0.34
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
TACR3 P29371 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6977 0.91 LPAR1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL7143 0.88 LPAR1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6513 0.87 GAA (0.39) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6482 0.86 LPAR1 (0.41) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4535 0.82 GAA (0.37) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL10571 0.81 LPAR1 (0.46) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL4475 0.79 GAA (0.39) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6861 0.79 LPAR1 (0.42) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL7142 0.78 GAA (0.40) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6504 0.78 GAA (0.40) 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-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