SCHEMBL1247418

SCHEMBL1247418

Cc1onc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ROCK2 O75116 1/20 0.45
MGLL Q99685 1/20 0.45
SCN9A Q15858 4/20 0.45
SCN5A Q14524 3/20 0.45
LPAR2 Q9HBW0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ENPP2 Q13822 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
NTRK1 P04629 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1247169 0.92 MGLL (0.52) LPAR1NPSR1ROCK2MGLLSCN9A
SCHEMBL4036879 0.90 NPSR1 (0.56) NPSR1ROCK2MGLLSCN9ASCN5A
SCHEMBL1246325 0.90 SCN9A (0.46) LPAR1NPSR1SCN9ASCN5ALPAR2
SCHEMBL1245255 0.90 LPAR1 (0.43) LPAR1NPSR1ROCK2MGLLSCN9A
SCHEMBL1245362 0.89 SCN9A (0.57) LPAR1NPSR1SCN9ASCN5ALPAR2
SCHEMBL1246454 0.89 NPSR1 (0.48) NPSR1ROCK2MGLLSCN9ASCN5A
SCHEMBL1245272 0.89 SCN9A (0.45) LPAR1NPSR1SCN9ASCN5ALPAR2
SCHEMBL1247342 0.88 SCN9A (0.46) NPSR1ROCK2MGLLSCN9ASCN5A
SCHEMBL1247351 0.88 NTRK1 (0.45) LPAR1NPSR1SCN9ASCN5ALPAR2
SCHEMBL1247293 0.88 SCN9A (0.52) LPAR1NPSR1SCN9ASCN5ALPAR2

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-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed