SCHEMBL3205209

SCHEMBL3205209

COC(O)(CN)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CES1 P23141 1/20 0.40
KIF11 P52732 5/20 0.39
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL1779381 0.81 CES1 (0.41) CES1KCNN4ALDH1A1ALOX15CYP1A2
SCHEMBL3054166 0.81 TAAR1 (0.45) TAAR1KIF11KCNN4ALDH1A1ALOX15
SCHEMBL27982186 0.79 CES1 (0.40) TAAR1CES1KCNN4ALDH1A1ALOX15
SCHEMBL670716 0.79 CES1 (0.40) TAAR1CES1KCNN4ALDH1A1ALOX15
SCHEMBL6257867 0.75 ALDH1A1 (0.36) TAAR1ALDH1A1ALOX15CYP1A2CYP2C9
SCHEMBL2065992 0.74 TAAR1 (0.52) TAAR1CES1KIF11KCNN4KCNH2
SCHEMBL2252740 0.74 TAAR1 (0.52) TAAR1CES1KIF11KCNN4KCNH2
SCHEMBL11598822 0.73 LTA4H (0.40) TAAR1KIF11ALDH1A1KCNH2CHRM2
SCHEMBL28907874 0.73 KCNN4 (0.47) CES1KCNN4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL28045641 0.73 KCNN4 (0.47) CES1KCNN4ALDH1A1CYP2C19SMN1; SMN2

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-7815692-B1 Hair coloring compositions Universal Beauty Products, Inc. (US) 2010-10-19 US disclosed