SCHEMBL9613997

SCHEMBL9613997

O=C(O)C(CCCCCCc1ccc(Cl)cc1)SCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.50
PPARG P37231 3/20 0.50
PLAAT3 P53816 3/20 0.49
PLAAT5 Q96KN8 3/20 0.49
PLAAT2 Q9NWW9 3/20 0.49
PLAAT4 Q9UL19 3/20 0.49
TRPA1 O75762 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9614100 1.00 PPARA (0.50) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9613875 0.92 MAPT (0.50) PPARGTRPA1CYSLTR2CYSLTR1MAPT
SCHEMBL9696793 0.91 PPARA (0.43) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL10419191 0.84 PPARG (0.47) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL10420481 0.82 PPARA (0.49) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL10418815 0.81 CYP2C9 (0.49) PPARAPPARGMAPT
SCHEMBL1863852 0.79 PPARG (0.45) PPARAPPARGCYSLTR2CYSLTR1CNR2
SCHEMBL9614128 0.79 PPARG (0.43) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9814962 0.78 PPARG (0.43) PPARAPPARGTDP1MAPT
SCHEMBL11208077 0.78 PPARA (0.56) PPARAPPARGPLAAT3PLAAT5PLAAT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed