SCHEMBL7563496

SCHEMBL7563496

CCCCCCCCCCCCSCc1cc(C)cc(CSCCCCCCCCCCCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.43
BCHE P06276 1/20 0.43
CYP2C9 P11712 3/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AMY1A P0DUB6 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGS2 P35354 2/20 0.34

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
SCHEMBL5873065 1.00 TYR (0.43) TYRBCHECYP2C9ESR1ESR2
SCHEMBL8990202 0.93 BCHE (0.45) TYRBCHECYP2C9MAPTAMY1A
SCHEMBL5873218 0.90 CYP2C19 (0.40) TYRBCHECYP2C9ESR1ESR2
SCHEMBL6650280 0.86 TYR (0.43) TYRCYP2C9ESR1ESR2CES2
SCHEMBL6654287 0.86 TYR (0.43) TYRCYP2C9ESR1ESR2CES2
SCHEMBL7626442 0.83 PTGS2 (0.51) TYRESR1TP53HSD17B10HIF1A
SCHEMBL39094 0.83 PTGS2 (0.51) TYRESR1TP53HSD17B10HIF1A
SCHEMBL27690311 0.83 PTGS2 (0.51) TYRESR1TP53HSD17B10HIF1A
SCHEMBL8990191 0.83 PTGS2 (0.51) TYRESR1TP53HSD17B10HIF1A
SCHEMBL3996606 0.82 CYP2C19 (0.44) TYRCYP2C9ESR1ESR2CES2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198344-A1 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US disclosed
EP-1249845-A2 Stabilized medium and high voltage cable insulation composition Ciba SC Holding AG (CH) 2002-10-16 EP disclosed