SCHEMBL5070575

SCHEMBL5070575

CCCC(c1cc(C)cc(C(C)(C)C)c1C=O)c1cc(C)cc(C(C)(C)C)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
HSPA5 P11021 1/20 0.33
HIF1A Q16665 1/20 0.32

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
SCHEMBL70420 0.76 CYP2C9 (0.58) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL6008016 0.76 ALDH1A1 (0.50) CYP2C9CYP2C19CYP2D6ALOX15SMN1; SMN2
SCHEMBL2931170 0.72 CYP2C9 (0.53) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL14432017 0.72 CYP2C9 (0.52) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL14493481 0.72 CYP2C9 (0.56) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL4589719 0.70 HSPA5 (0.55) CYP2C9CYP2C19TP53CYP2D6SMN1; SMN2
SCHEMBL4345786 0.70 CYP2C9 (0.40) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL3418023 0.70 CYP2D6 (0.43) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL19223329 0.69 CYP2C9 (0.49) CYP2C9CYP2C19TP53CYP2D6ALOX15
SCHEMBL28456767 0.68 ALDH1A1 (0.52) CYP2C9CYP2C19TP53CYP2D6ALOX15

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
EP-1897925-A1 Heat-sensitive adhesive agent and heat-sensitive adhesive sheet Ricoh Company, Ltd. (JP) 2008-03-12 EP disclosed