SCHEMBL10567012

SCHEMBL10567012

CCCCC(CC)COC(=O)CSCc1c(C)[c]c(C)c(CSCC(=O)OCC(CC)CCCC)c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
RECQL P46063 1/20 0.47
ALDH1A1 P00352 8/20 0.43
CA2 P00918 3/20 0.43
LMNA P02545 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 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
SCHEMBL10449652 0.86 CYP3A4 (0.52) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL10451198 0.82 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5930242 0.81 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL26934537 0.79 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL10456386 0.79 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL10565887 0.77 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL10449625 0.76 CYP3A4 (0.56) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5930525 0.75 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9511954 0.74 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9515792 0.74 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMRECQL

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-4820756-A Thioether substituted phenols and their use as stabilizers CIBA-GEIGY CORPORATION (US) 1989-04-11 US disclosed