SCHEMBL9613841

SCHEMBL9613841

Cc1ccc(CCS(=O)(=O)C(CCOCCc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
CNR1 P21554 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
FKBP1A P62942 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9613850 0.91 PPARG (0.45) PPARGPPARAKMT2APTGES2MMP2
SCHEMBL9614319 0.86 MMP2 (0.54) PPARGPPARAKMT2AGAAALDH1A1
SCHEMBL9613878 0.84 PPARA (0.47) PPARGPPARAKMT2AMMP2MMP9
SCHEMBL9613829 0.83 KMT2A (0.45) PPARGPPARAKMT2AGAAALDH1A1
SCHEMBL9613989 0.83 PPARA (0.43) PPARGPPARAMMP2MMP9MAPT
SCHEMBL9614321 0.82 CA2 (0.41) PPARGPPARA
SCHEMBL9613899 0.80 TAAR1 (0.47) PPARGPPARAKMT2AALDH1A1MEN1
SCHEMBL9614049 0.78 MMP2 (0.49) PPARGPPARAKMT2AGAAALDH1A1
SCHEMBL9858523 0.77 MMP2 (0.44) KMT2AGAAALDH1A1CNR2MMP2
SCHEMBL27274785 0.77 PPARA (0.47) PPARGPPARAGAAALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed