SCHEMBL4631441

SCHEMBL4631441

COCc1cc([AsH2])ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.46
MYLK Q15746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
PRKCG P05129 1/20 0.46
MAPT P10636 1/20 0.46
PRKCA P17252 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX12 P18054 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL6712520 0.81 PRKCE (0.50) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL25446709 0.78 PRKCE (0.47) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL2220733 0.78 AMY1A (0.55) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL21248098 0.76 ALDH1A1 (0.50) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL9366397 0.76 HIF1A (0.61) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL33866 0.76 PRKCI (0.56) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL4057010 0.76 TSHR (0.46) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL17402732 0.75 TDP1 (0.64) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL28641995 0.74 TRPA1 (0.55) PRKCEMYLKALDH1A1MEN1PRKCG
SCHEMBL25460973 0.74 PRKCE (0.44) PRKCEMYLKALDH1A1MEN1PRKCG

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
EP-1345577-B1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES BASED ON AMPHIPHILIC POLYMERS OF AT LEAST AN ETHYLENICALLY UNSATURATED MONOMER WITH SULPHONIC GROUP AND COMPRISING A HYDROPHOBIC PART OREAL (FR) 2008-02-13 EP disclosed