SCHEMBL5873218

SCHEMBL5873218

CCCCCCCCCCCCSCc1cc(C)cc(CSCCCCCCCCCCCC)c1O.CCCCCCCCSCc1cc(C(C)(C)C)cc(CSCCCCCCCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 4/20 0.39
HIF1A Q16665 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.38
CNR2 P34972 6/20 0.37
CNR1 P21554 5/20 0.37
TYR P14679 1/20 0.37
HSPA5 P11021 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
CYP2D6 P10635 2/20 0.33
ESR1 P03372 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
SCHEMBL5872964 0.94 CYP2C19 (0.44) CYP2C19CYP2C9HIF1ATYRHSD17B10
SCHEMBL3996606 0.94 CYP2C19 (0.44) CYP2C19CYP2C9HIF1ATYRHSD17B10
SCHEMBL9722675 0.90 CYP2C19 (0.40) CYP2C19CYP2C9HIF1ACNR2CNR1
SCHEMBL5873065 0.90 TYR (0.43) CYP2C19CYP2C9HIF1ASMN1; SMN2BCHE
SCHEMBL7563496 0.90 TYR (0.43) CYP2C19CYP2C9HIF1ASMN1; SMN2BCHE
SCHEMBL28489721 0.86 NR5A2 (0.44) CYP2C19CYP2C9HIF1ASMN1; SMN2TYR
SCHEMBL2813062 0.86 NR5A2 (0.44) CYP2C19CYP2C9HIF1ASMN1; SMN2TYR
SCHEMBL8990202 0.83 BCHE (0.45) CYP2C19CYP2C9HIF1ASMN1; SMN2BCHE
SCHEMBL9722660 0.82 CNR1 (0.47) CNR2CNR1
SCHEMBL5873081 0.82 IDH1 (0.42) CYP2C9HIF1ASMN1; SMN2CNR2CNR1

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