SCHEMBL1247653

SCHEMBL1247653

CCOC(=O)N(c1ccccc1Cl)c1c(-c2cccc(-c3cc(CC(=O)O)cnc3OC)c2)noc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.38
GPBAR1 Q8TDU6 6/20 0.37
PPARD Q03181 2/20 0.37
SCN9A Q15858 1/20 0.37
MDM2 Q00987 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL3707320 0.89 CTSA (0.38) CTSAPPARDMDM2
SCHEMBL1246303 0.88 PPARD (0.46) GPBAR1PPARDALDH1A1MAPT
SCHEMBL1247108 0.85 SCN9A (0.40) GPBAR1PPARDSCN9A
SCHEMBL1246467 0.85 NR1H4 (0.43) GPBAR1PPARDSCN9A
SCHEMBL3706374 0.83 MDM2 (0.39) CTSAPPARDMDM2
SCHEMBL1246307 0.82 NR1H4 (0.44) GPBAR1PPARDSCN9AMAPT
SCHEMBL1245358 0.81 NR1H4 (0.42) GPBAR1PPARDSCN9AALDH1A1MAPT
SCHEMBL1247748 0.81 SCN9A (0.39) GPBAR1PPARDSCN9AALDH1A1MAPT
SCHEMBL1246951 0.81 CYP11B1 (0.40) GPBAR1SCN9AALDH1A1MAPT
SCHEMBL1246462 0.81 GPBAR1 (0.42) GPBAR1ALDH1A1MAPT

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