SCHEMBL7587241

SCHEMBL7587241

CCOc1cc(C)c(O)cc1NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 3/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL687380 0.84 TUBB4A (0.40) KDM4EMAPK1ALDH1A1TSHRPOLB
Hydrochloric Acid SCHEMBL9192756 0.83 TUBB4A (0.43) KDM4EMAPK1ALDH1A1TSHRGAA
SCHEMBL23706335 0.78 MEN1 (0.40) KDM4EMAPK1NPC1THRBRAB9A
SCHEMBL8874779 0.77 POLB (0.40) KDM4EMAPK1NPC1MITFTHRB
SCHEMBL9704738 0.74 ESR1 (0.51) KDM4EMAPK1ESR1ALDH1A1TSHR
SCHEMBL7256642 0.74 MAPK1 (0.43) KDM4EMAPK1NPC1MITFTHRB
SCHEMBL10364119 0.73 RET (0.37) KDM4EMAPK1ALDH1A1TSHRCYP1A2
SCHEMBL11142464 0.72 MAPT (0.49) KDM4EMAPK1NPC1RAB9AALDH1A1
SCHEMBL8874874 0.72 TDP1 (0.45) KDM4ENPC1MITFTHRBRAB9A
Hydrochloric Acid SCHEMBL11140483 0.71 GAA (0.51) KDM4EMAPK1NPC1RAB9AALDH1A1

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-2002067882-A1 HAIR COLORANT IN THE FORM OF A CREAMY PERMANENT MOUSSE OR A STABLE FOAMED CREME COLORANT WELLA AKTIENGESELLSCHAFT (DE) 2002-09-06 WO disclosed