SCHEMBL1247166

SCHEMBL1247166

CCOC(=O)N(c1ccccc1)c1c(-c2ccc(-c3cccc(CC(=O)O)c3)cc2)noc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NR1H4 Q96RI1 3/20 0.40
PPARD Q03181 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
ENPP2 Q13822 1/20 0.38
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
GHSR Q92847 1/20 0.37
PTPN11 Q06124 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1247415 0.91 TSHR (0.43) TSHRNR1H4PPARDPPARGPPARA
SCHEMBL1246307 0.88 NR1H4 (0.44) TSHRNR1H4PPARD
SCHEMBL1245253 0.85 CACNA1F (0.42) TSHRNR1H4PPARDCACNA1FCACNA1D
SCHEMBL3714448 0.85 LPAR1 (0.41) NR1H4PPARDPPARGPPARAENPP2
SCHEMBL1246452 0.83 TSHR (0.45) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1247195 0.83 HDAC1 (0.43)
SCHEMBL1247341 0.83 TSHR (0.43) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1246467 0.82 NR1H4 (0.43) NR1H4PPARD
SCHEMBL1246323 0.81 PPARD (0.39) TSHRNR1H4PPARDPPARGPPARA
SCHEMBL1247291 0.81 SCN9A (0.41) TSHRNR1H4PPARDCACNA1FCACNA1D

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