SCHEMBL7121

SCHEMBL7121

C=CCCCN(C)c1c(C)noc1-c1ccc(-c2ccccc2CC(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.35
MLNR O43193 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FFAR4 Q5NUL3 3/20 0.33
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PTGS2 P35354 1/20 0.32
PTGS1 P23219 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
BRD4 O60885 1/20 0.32
PPARG P37231 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 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
SCHEMBL7683 0.89 CYP4F2 (0.33) MLNRMEN1KMT2AALDH1A1BRD4
SCHEMBL12783 0.88 LPAR1 (0.36) LPAR1MLNRPTGDR2FFAR4MEN1
SCHEMBL6296 0.79 LPAR1 (0.48) LPAR1PTGDR2FFAR4PTGS2PTGS1
SCHEMBL7396 0.77 CYP4F2 (0.35) MLNRMEN1KMT2AALDH1A1LMNA
SCHEMBL6916 0.77 BRD4 (0.33) LPAR1POLBALDH1A1HSP90AA1BRD4
SCHEMBL6705 0.76 LPAR1 (0.44) LPAR1POLBMEN1KMT2AALDH1A1
SCHEMBL14687 0.76 LPAR1 (0.45) LPAR1PTGDR2MEN1KMT2AALDH1A1
SCHEMBL3709527 0.73 CYP2D6 (0.39) LPAR1MLNRPTGDR2FFAR4MEN1
SCHEMBL7501 0.72 ABCC3 (0.37) LPAR1
SCHEMBL6236 0.70 GAA (0.34) LPAR1BRD4GAA

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