SCHEMBL14549481

SCHEMBL14549481

C=C/C=C(C#Cc1ccc(C#N)cc1)\C=C/CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
GSK3B P49841 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13964675 0.85 APP (0.37)
SCHEMBL14616046 0.73
SCHEMBL24884729 0.71 CYP2A6 (0.42) CYP2A6GSK3BALDH1A1CA12CA2
SCHEMBL13980293 0.68 APP (0.44) ALDH1A1CA12CA2CA9CA14
SCHEMBL23266617 0.67 APP (0.37) ALDH1A1RAB9A
SCHEMBL25556892 0.67 RARB (0.42) ALDH1A1SMN1; SMN2
SCHEMBL8616506 0.66 CYP2A6 (0.44) CYP2A6ALDH1A1LOXL2SMN1; SMN2
SCHEMBL8616510 0.66 CYP2A6 (0.44) CYP2A6ALDH1A1LOXL2SMN1; SMN2
SCHEMBL21526242 0.66 MEN1 (0.33) CYP2A6GSK3BALDH1A1CA2RAB9A
SCHEMBL24230237 0.65 VCP (0.31)

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-2018848-B1 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. OREAL (FR) 2013-01-09 EP disclosed