SCHEMBL9562302

SCHEMBL9562302

Cc1[nH]c2ccccc2c1-c1ccc(O)c2c1C(=O)C=C(c1c(-c3ccccc3)[nH]c3ccccc13)C2=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
PTGS2 P35354 9/20 0.43
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
BACE1 P56817 2/20 0.40
DDX3X O00571 1/20 0.38

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
SCHEMBL9562267 0.96 PTPRC (0.55) PTPRCCCR6HKDC1PTGS2ESR1
SCHEMBL9562325 0.92 PTPRC (0.60) PTPRCHKDC1PTGS2ESR1ESR2
SCHEMBL9561883 0.91 HKDC1 (0.52) PTPRCCCR6HKDC1BACE1
SCHEMBL9561882 0.80 PTPRC (0.65) PTPRCHKDC1PTGS2ESR1ESR2
SCHEMBL9562297 0.78 PTPRC (0.59) PTPRCPTGS2ESR1ESR2BACE1
SCHEMBL9562546 0.77 BACE1 (0.57) PTPRCCCR6HKDC1BACE1
SCHEMBL9572012 0.77 BACE1 (0.57) PTPRCCCR6HKDC1BACE1
SCHEMBL9562523 0.74 PTPRC (0.80) PTPRCCCR6HKDC1PTGS2ESR1
SCHEMBL6252574 0.73 PTGS2 (0.53) PTPRCCCR6HKDC1PTGS2ESR1
SCHEMBL9562597 0.71 PTPRC (0.59) PTPRCCCR6HKDC1PTGS2ESR1

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-0560684-A1 1,4-naphthoquinone or 1,4-naphthalenediol compounds di- or tri-indolyl substituted, processes for their preparation and their use for dyeing keratinous material L'OREAL (FR) 1993-09-15 EP claimed
EP-0560684-A1 1,4-naphthoquinone or 1,4-naphthalenediol compounds di- or tri-indolyl substituted, processes for their preparation and their use for dyeing keratinous material L'OREAL (FR) 1993-09-15 EP disclosed