SCHEMBL15934299

SCHEMBL15934299

Nc1cc(O)cc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL27213513 0.84 MAPT (0.46) MAPTALDH1A1NPC1RAB9AGMNN
SCHEMBL816372 0.84 MAPT (0.52) MAPTALDH1A1NPC1RAB9AGMNN
SCHEMBL816836 0.84 AURKA (0.44) MAPTAURKATPX2GPR84RAB9A
SCHEMBL24445859 0.84 AURKA (0.44) MAPTAURKATPX2GPR84GPR3
SCHEMBL15934242 0.81 GABRA1 (0.34) MAPTALDH1A1CYP3A4CA12CA1
SCHEMBL30695905 0.77 MAPT (0.41) MAPTALDH1A1NPC1RAB9AGMNN
SCHEMBL17893665 0.77 MAPT (0.41) MAPTALDH1A1NPC1RAB9AGMNN
SCHEMBL26068821 0.76 TRPV1 (0.38) MAPTALDH1A1NPC1RAB9AGMNN
SCHEMBL17203809 0.75 WDR5 (0.39) MAPTALDH1A1AURKATPX2GPR84
SCHEMBL20962938 0.75 ALDH1A1 (0.48) ALDH1A1AURKATPX2GPR84SMN1; 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
WO-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed