SCHEMBL9613995

SCHEMBL9613995

CCCCCCCCS(=O)(=O)C(CCCCCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
S1PR1 P21453 6/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR2 O95136 4/20 0.49
KCNH2 Q12809 4/20 0.45
S1PR4 O95977 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 2/20 0.43
S1PR5 Q9H228 1/20 0.43
RARB P10826 4/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL9614269 0.96 PPARA (0.51) PPARAS1PR1S1PR3S1PR2KCNH2
SCHEMBL10420482 0.94 PPARA (0.47) PPARAS1PR1S1PR3S1PR2MMP2
SCHEMBL27274785 0.91 PPARA (0.47) PPARAS1PR1S1PR3S1PR2KCNH2
SCHEMBL9614046 0.90 PPARA (0.48) PPARAMMP2MMP9ALDH1A1MEN1
SCHEMBL9614023 0.89 PPARA (0.47) PPARAS1PR1S1PR3S1PR2MMP2
SCHEMBL9613868 0.89 PPARA (0.49) PPARAS1PR1S1PR3S1PR2KCNH2
SCHEMBL9613878 0.86 PPARA (0.47) PPARAS1PR1S1PR3S1PR2KCNH2
SCHEMBL9613829 0.85 KMT2A (0.45) PPARAS1PR1S1PR3S1PR2KCNH2
SCHEMBL9614112 0.85 PPARA (0.48) PPARAMMP2MMP9ALDH1A1MEN1
SCHEMBL9614107 0.85 PPARA (0.48) PPARAMMP2MMP9ALDH1A1MEN1

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 6 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
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed
EP-0226636-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1987-07-01 EP disclosed
WO-1987000521-A2 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1987-01-29 WO disclosed