SCHEMBL9614112

SCHEMBL9614112

O=C(O)C(CCCCCc1ccccc1)S(=O)(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.48
PPARG P37231 3/20 0.48
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
TBXAS1 P24557 1/20 0.43
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MMP2 P08253 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
SCHEMBL9614107 1.00 PPARA (0.48) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9858450 1.00 PPARA (0.48) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9614023 0.96 PPARA (0.47) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9614046 0.95 PPARA (0.48) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9613974 0.92 TRPA1 (0.48) TRPA1MAPTRXFP1TRPV1HDAC1
SCHEMBL10420392 0.92 TRPA1 (0.48) TRPA1MAPTRXFP1TRPV1HDAC1
SCHEMBL10420482 0.91 PPARA (0.47) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL9613829 0.90 KMT2A (0.45) PPARAPPARGALDH1A1GAAMEN1
SCHEMBL9614242 0.87 TDP1 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4TRPA1
SCHEMBL27272794 0.87 TRPA1 (0.42) TRPA1MAPTRXFP1TRPV1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1018548-B CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-07 CN disclosed
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
CN-88100219-A New carboxylic acid derivative and preparation technology thereof and the medicinal compositions that contains these derivatives 1988-07-27 CN disclosed