SCHEMBL12783

SCHEMBL12783

Cc1noc(-c2ccc(-c3ccccc3CC(=O)O)cc2)c1N(C)CCCCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
MLNR O43193 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 2/20 0.34
FFAR4 Q5NUL3 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL7121 0.88 LPAR1 (0.35) LPAR1PTGDR2SUCNR1MLNRMEN1
SCHEMBL7396 0.88 CYP4F2 (0.35) MLNRMEN1ALDH1A1KMT2A
SCHEMBL6296 0.82 LPAR1 (0.48) LPAR1PTGDR2PTGS1PTGS2FFAR4
SCHEMBL7683 0.78 CYP4F2 (0.33) MLNRMEN1ALDH1A1KMT2A
SCHEMBL7534 0.76 L3MBTL1 (0.34) LPAR1ALDH1A1
SCHEMBL3709527 0.76 CYP2D6 (0.39) LPAR1PTGDR2MLNRMEN1ALDH1A1
SCHEMBL7415 0.76 LPAR1 (0.46) LPAR1MEN1ALDH1A1KMT2ALPAR3
SCHEMBL14688 0.75 LPAR1 (0.47) LPAR1PTGDR2SUCNR1MEN1ALDH1A1
SCHEMBL2342592 0.72 LPAR1 (0.39) LPAR1ALDH1A1LPAR2LPAR3PPARD
SCHEMBL6661 0.72 FFAR1 (0.41) LPAR1MEN1ALDH1A1KMT2AFFAR4

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