SCHEMBL18801072

SCHEMBL18801072

CCCc1ccc(C[S+]([O-])c2ccccc2)c(C(=O)O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.37
METAP2 P50579 4/20 0.37
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
PPARG P37231 5/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2C9 P11712 2/20 0.32
PPARD Q03181 1/20 0.32
HIF1A Q16665 1/20 0.32
HTT P42858 1/20 0.32
BID P55957 2/20 0.32
BCL2L1 Q07817 2/20 0.32

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
SCHEMBL1647720 0.91 METAP2 (0.44) PPARAMETAP2KDM4EALDH1A1HSD17B10
SCHEMBL18801307 0.88 TDP1 (0.40) KDM4EALDH1A1CA12CA1CA2
SCHEMBL18801289 0.80 METAP2 (0.41) METAP2KDM4EALDH1A1HSD17B10
SCHEMBL1647770 0.79 TSHR (0.41) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL18801161 0.78 MAPT (0.37) PTPN1KDM4EALDH1A1HSD17B10
SCHEMBL18801252 0.76 MEN1 (0.30)
SCHEMBL18801131 0.76 HTT (0.31) METAP2HTT
SCHEMBL18801147 0.76 METAP2 (0.48) METAP2PPARGKDM4EALDH1A1HSD17B10
SCHEMBL18801070 0.76 TUBB4A (0.39) ALDH1A1HSD17B10
SCHEMBL18801063 0.76 METAP2 (0.48) METAP2

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed