SCHEMBL5872964

SCHEMBL5872964

CCCCCCCCCCCCSCc1cc(C(C)(C)C)cc(CSCCCCCCCCCCCC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
TYR P14679 1/20 0.40
CYP2C9 P11712 3/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
CES2 O00748 3/20 0.35
FAAH O00519 4/20 0.35
CES1 P23141 4/20 0.35

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
SCHEMBL3996606 1.00 CYP2C19 (0.44) CYP2C19TYRCYP2C9GMNNTP53
SCHEMBL5873218 0.94 CYP2C19 (0.40) CYP2C19TYRCYP2C9GMNNTP53
SCHEMBL9722675 0.93 CYP2C19 (0.40) CYP2C19TYRCYP2C9GMNNTP53
SCHEMBL2813062 0.91 NR5A2 (0.44) CYP2C19TYRCYP2C9GMNNTP53
SCHEMBL28489721 0.91 NR5A2 (0.44) CYP2C19TYRCYP2C9GMNNTP53
SCHEMBL5873081 0.87 IDH1 (0.42) TYRCYP2C9GMNNTP53POLB
SCHEMBL9722660 0.87 CNR1 (0.47)
SCHEMBL6650280 0.82 TYR (0.43) TYRCYP2C9GMNNTP53POLB
SCHEMBL7563496 0.82 TYR (0.43) CYP2C19TYRCYP2C9GMNNTP53
SCHEMBL6654287 0.82 TYR (0.43) TYRCYP2C9GMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056967-B2 Stabilized medium and high voltage cable insulation composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-06 US disclosed
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