SCHEMBL7675064

SCHEMBL7675064

COC(=O)c1ccc2c(c1C)S(=O)(=O)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
PTGER4 P35408 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
HDAC4 P56524 2/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP26A1 O43174 2/20 0.33
RXRA P19793 5/20 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
PDK2 Q15119 1/20 0.33

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
SCHEMBL6981388 0.85 RXRA (0.38) CYP3A4CYP26A1RXRAMEN1KMT2A
SCHEMBL7618967 0.83 HDAC4 (0.33) HDAC4CYP26A1RXRAHDAC3HDAC1
SCHEMBL7670817 0.82 KDM4E (0.37) CYP3A4KDM4EALDH1A1GAAGLA
SCHEMBL7821373 0.79 KDM4E (0.33) CYP3A4KDM4EALDH1A1GAAHDAC4
SCHEMBL8892644 0.76 KDM4E (0.38) KDM4EALDH1A1HDAC4MAPTHPGD
SCHEMBL7617939 0.76 SPR (0.33)
SCHEMBL6981392 0.76 RXRA (0.33) HDAC4RXRARXRBRXRG
SCHEMBL7671509 0.76 KDM4E (0.38) PTGER4KDM4EALDH1A1GAAGLA
SCHEMBL8892646 0.75 LOX (0.33) HDAC4
SCHEMBL8045223 0.73 RXRA (0.38) CYP3A4HDAC4CYP26A1RXRAHDAC3

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-6352959-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed