SCHEMBL14718247

SCHEMBL14718247

CCCCc1cc(C(C)(C)C)c(O)c(O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TYR P14679 3/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
HIF1A Q16665 3/20 0.42
TP53 P04637 1/20 0.40
CA1 P00915 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPN P05981 1/20 0.39
ALOX15 P16050 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28365843 0.87 CYP2C9 (0.45) HSPA5SMN1; SMN2TYRCA2ALDH1A1
SCHEMBL21384992 0.87 HSPA5 (0.41) HSPA5SMN1; SMN2TYRCA2ALDH1A1
SCHEMBL7218009 0.80 HSPA5 (0.41) HSPA5SMN1; SMN2TYRCA2ALDH1A1
SCHEMBL9114680 0.79 HSPA5 (0.66) HSPA5SMN1; SMN2TYRCA2ALDH1A1
SCHEMBL5676677 0.78 TYR (0.44) SMN1; SMN2TYRALDH1A1TP53MAPT
SCHEMBL28365844 0.77 ALOX15 (0.48) HSPA5SMN1; SMN2TYRCA2ALDH1A1
SCHEMBL8617654 0.77 HTT (0.55) SMN1; SMN2TYRALDH1A1TP53MAPT
SCHEMBL5678213 0.77 TYR (0.43) SMN1; SMN2TYRALDH1A1TP53MAPT
SCHEMBL5680552 0.77 TYR (0.51) TYRTP53MAPTALOX15NPC1
SCHEMBL5678144 0.77 TYR (0.43) SMN1; SMN2TYRALDH1A1TP53MAPT

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-20130052573-A1 NOVEL REACTIVE COMPOUND, CHARGE TRANSPORTING FILM, PHOTOELECTRIC CONVERSION DEVICE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND METHOD OF PRODUCING THE SAME, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2013-02-28 US disclosed