SCHEMBL9613829

SCHEMBL9613829

Cc1ccc(CCS(=O)(=O)C(CCCCCCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.40
CNR1 P21554 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9614023 0.94 PPARA (0.47) PPARAPPARGMMP2MMP9S1PR2
SCHEMBL9614242 0.90 TDP1 (0.43) CYP2C9CYP2C19ALDH1A1CNR2L3MBTL1
SCHEMBL9614112 0.90 PPARA (0.48) KMT2AHTTPPARAPPARGGAA
SCHEMBL9614107 0.90 PPARA (0.48) KMT2AHTTPPARAPPARGGAA
SCHEMBL9858450 0.90 PPARA (0.48) KMT2AHTTPPARAPPARGGAA
SCHEMBL10420482 0.89 PPARA (0.47) PPARAPPARGMMP2MMP9S1PR2
SCHEMBL9613998 0.87 PPARA (0.48) KMT2APPARAPPARGALDH1A1CNR2
SCHEMBL9614200 0.87 PPARA (0.48) KMT2APPARAPPARGALDH1A1CNR2
SCHEMBL9614269 0.86 PPARA (0.51) KCNH2PPARAPPARGALDH1A1MMP2
SCHEMBL27274785 0.86 PPARA (0.47) KCNH2PPARAPPARGGAAALDH1A1

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