SCHEMBL14432017

SCHEMBL14432017

CCCC(c1cc(C)cc(C(C)(C)C)c1C)c1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.52
CYP2C19 P33261 7/20 0.52
TP53 P04637 3/20 0.52
ALOX15 P16050 3/20 0.52
CYP2D6 P10635 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
CA2 P00918 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.49
HSPA5 P11021 2/20 0.45
HIF1A Q16665 4/20 0.44
CYP1A2 P05177 3/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.40
CA1 P00915 2/20 0.34
HMGCR P04035 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 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
SCHEMBL70420 0.94 CYP2C9 (0.58) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL14493481 0.88 CYP2C9 (0.56) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL9068045 0.85 SMN1; SMN2 (0.52) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL19223329 0.85 CYP2C9 (0.49) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL15738035 0.83 CYP2C9 (0.79) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL13941924 0.83 CYP2C9 (0.48) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL13989008 0.82 CYP2C9 (0.47) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL29140619 0.82 SMN1; SMN2 (0.49) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL4345787 0.82 SMN1; SMN2 (0.49) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL28356014 0.82 SMN1; SMN2 (0.49) CYP2C9CYP2C19TP53ALOX15CYP2D6

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-1308776-B1 Photothermographic material and method of thermal development of the same FUJIFILM CORP (JP) 2007-08-15 EP disclosed