SCHEMBL9251823

SCHEMBL9251823

CS(=O)(=O)OCC/C=C/c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
PPARA Q07869 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
PPARG P37231 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NLRP3 Q96P20 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GUSB P08236 1/20 0.31

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
SCHEMBL9251828 1.00 ALOX5 (0.41) ALOX5PPARATAS1R3TAS1R1PPARG
SCHEMBL6042289 0.78 SIGMAR1 (0.42) PPARAPPARGLMNA
SCHEMBL6042296 0.78 SIGMAR1 (0.42) PPARAPPARGLMNA
SCHEMBL15573651 0.72 ALOX5 (0.49) ALOX5PPARATAS1R3TAS1R1PPARG
SCHEMBL31634313 0.72 ALOX5 (0.49) ALOX5PPARATAS1R3TAS1R1PPARG
SCHEMBL9045547 0.72 PTGS2 (0.44) ALDH1A1
SCHEMBL14833024 0.72 PTGS2 (0.44) ALDH1A1
SCHEMBL9097143 0.70 ALOX5 (0.44) ALOX5PPARATAS1R3TAS1R1PPARG
SCHEMBL20236040 0.70 USP2 (0.57) KDM4EALDH1A1USP2LMNAMMP9
SCHEMBL31681954 0.70 USP2 (0.57) KDM4EALDH1A1USP2LMNAMMP9

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-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed