SCHEMBL9572011

SCHEMBL9572011

Cc1[nH]c2ccccc2c1C1=C(CC23CC4CC(CC(C4)C2)C3)C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CAMK2D Q13557 1/20 0.38
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
HTT P42858 2/20 0.35
IMPDH2 P12268 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
RAD52 P43351 1/20 0.34
HTR6 P50406 1/20 0.34
GSK3B P49841 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
SCHEMBL9561901 0.78 CCR6 (0.56) CCR6HKDC1CAMK2DHTTIMPDH2
SCHEMBL9572003 0.74 HSD17B10 (0.47) CCR6HKDC1CAMK2DHTTMAPT
SCHEMBL9561922 0.73 CCR6 (0.51) CCR6HKDC1CAMK2DHTTIMPDH2
SCHEMBL9572023 0.72 MEN1 (0.51) CCR6HKDC1CAMK2DHTTIMPDH2
SCHEMBL9572001 0.72 PTPRC (0.50) CCR6HKDC1HTTIMPDH2MAPT
SCHEMBL9562597 0.71 PTPRC (0.59) CCR6HKDC1IMPDH2GAAPTPRC
SCHEMBL5686050 0.68 CAMK2D (0.57) CCR6HKDC1CAMK2DPRKCBPRKCA
SCHEMBL9572000 0.68 APAF1 (0.45) CCR6HKDC1CAMK2DPRKCBPRKCA
SCHEMBL9572005 0.67 CCR6 (0.45) CCR6HKDC1CAMK2DPRKCAIMPDH2
SCHEMBL17210881 0.66 CCR6 (0.53) CCR6HKDC1PRKCBPRKCAPRKCH

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
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP claimed
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP disclosed