SCHEMBL7675069

SCHEMBL7675069

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
PTGER4 P35408 1/20 0.33
RXRA P19793 5/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
CYP26A1 O43174 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL7622103 0.86 RXRA (0.35) RXRARXRBRXRGCYP26A1MEN1
SCHEMBL7670823 0.83 CYP3A4 (0.34) CYP3A4CYP26A1PPARG
SCHEMBL7617943 0.78 HPD (0.31)
SCHEMBL7621926 0.74 RXRA (0.36) CYP3A4RXRARXRBRXRGCYP26A1
SCHEMBL7623305 0.73 CYP19A1 (0.34)
SCHEMBL7619004 0.69 RARA (0.42) CYP3A4PTGER4RXRARXRBRXRG
SCHEMBL7675064 0.68 CYP3A4 (0.36) CYP3A4PTGER4RXRARXRBRXRG
SCHEMBL3422644 0.65 CA12 (0.54) PTGER4POLBCA12CA1CA2
SCHEMBL2426826 0.62 PTGER4 (0.54) PTGER4POLBCA12CA1CA2
SCHEMBL12427196 0.62 RXRA (0.63) RXRARXRBRXRGCYP26A1MEN1

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