SCHEMBL9572003

SCHEMBL9572003

CCCCCC1=C(c2c(C)[nH]c3ccccc23)C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.41
CAMK2D Q13557 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCL1 Q07820 1/20 0.40
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL9572006 0.86 PTPRC (0.50) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL9561901 0.81 CCR6 (0.56) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL28629974 0.77 KDM4E (0.44) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL28616027 0.77 KDM4E (0.44) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL9561922 0.76 CCR6 (0.51) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL9572023 0.75 MEN1 (0.51) HSD17B10KDM4EALDH1A1HPGDCCR6
SCHEMBL9572001 0.75 PTPRC (0.50) HSD17B10KDM4EALDH1A1HPGDCCR6
SCHEMBL9572011 0.74 CCR6 (0.40) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL9562597 0.74 PTPRC (0.59) GAACCR6HKDC1
SCHEMBL9572015 0.74 RAB9A (0.43) HSD17B10KDM4EALDH1A1HPGDGAA

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