SCHEMBL8140503

SCHEMBL8140503

COC(C)c1cc(N)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
ALOX5 P09917 1/20 0.45
CASP1 P29466 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 3/20 0.41
PRKCI P41743 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL21711093 0.81 PDE10A (0.45) PDE10AALOX5CASP1CA1CA2
SCHEMBL3969449 0.80 ALOX5 (0.41) PDE10AALOX5CASP1CA1CA2
SCHEMBL6941557 0.80 MAOB (0.47) CA1CA2GAASLC22A6SLC22A8
SCHEMBL3654298 0.80 CASP1 (0.37) ALOX5CASP1TSHRGAAALDH1A1
SCHEMBL3975247 0.80 TDP1 (0.46) PDE10AALOX5GAAALDH1A1KDM4E
SCHEMBL2739345 0.79 PDE10A (0.52) PDE10AALOX5CASP1CA1CA2
SCHEMBL5681804 0.78 PDE10A (0.50) PDE10AALOX5CASP1CA1CA2
SCHEMBL3194749 0.78 PDE10A (0.50) PDE10AALOX5CASP1CA1CA2
SCHEMBL17774759 0.78 PDE10A (0.50) PDE10AALOX5CASP1CA1CA2
SCHEMBL17774755 0.78 PDE10A (0.50) PDE10AALOX5CASP1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374495-A Colorant for keratin fibers PROCTER & GAMBLE (US) 2009-02-25 CN disclosed
US-6118008-A FIBER-REACTIVE DYE; HAIR DYE L'OREAL (FR) 2000-09-12 US disclosed