SCHEMBL1246285

SCHEMBL1246285

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(-c3ccc(CCCC(=O)O)cc3)cc2)noc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.43
NR1H4 Q96RI1 5/20 0.43
LPAR1 Q92633 1/20 0.40
GPBAR1 Q8TDU6 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FABP1 P07148 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
FAAH O00519 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1247211 0.95 FFAR4 (0.42) PPARDNR1H4GPBAR1PPARGPPARA
SCHEMBL1245358 0.89 NR1H4 (0.42) PPARDNR1H4LPAR1GPBAR1MAPT
SCHEMBL2334588 0.86 LPAR1 (0.40) PPARDNR1H4LPAR1PPARGPPARA
SCHEMBL1245176 0.86 NR1H4 (0.40) PPARDNR1H4LPAR1GPBAR1MAPT
SCHEMBL1247564 0.85 MAPT (0.42) NR1H4GPBAR1MAPTL3MBTL1ALDH1A1
SCHEMBL1246477 0.84 NR1H4 (0.42) PPARDNR1H4GPBAR1PPARGPPARA
SCHEMBL1246467 0.84 NR1H4 (0.43) PPARDNR1H4LPAR1GPBAR1FABP1
SCHEMBL1246442 0.84 ALDH1A1 (0.39) GPBAR1MAPTKMT2AALDH1A1HPGD
SCHEMBL1245294 0.83 GPBAR1 (0.37) GPBAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL1246476 0.83 NR1H4 (0.42) PPARDNR1H4LPAR1GPBAR1MAPT

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