SCHEMBL13694972

SCHEMBL13694972

C=CC(/C=C/c1ccc(OCc2ccccc2)c(OC)c1)=C\C=N\CCSSCC[n+]1ccc(/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.47
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MMP1 P03956 4/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP12 P39900 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14401526 0.83 PSMB11 (0.40) HPGDALDH1A1KDM4EHTT
SCHEMBL13875511 0.83 APP (0.56) APPHPGDALDH1A1KDM4EHTT
SCHEMBL14401518 0.79 CYP1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2PDE4APDE4B
SCHEMBL14401515 0.77 CYP1A1 (0.42) HPGDALDH1A1KDM4EHDAC6MEN1
SCHEMBL16070280 0.77 APP (0.32) APP
SCHEMBL12451468 0.76 KDM4A (0.43) APPALDH1A1HTTMEN1KMT2A
SCHEMBL18774418 0.76 MEN1 (0.32) MEN1KMT2A
SCHEMBL19649207 0.75 BACE1 (0.43) APPMEN1KMT2A
SCHEMBL21005628 0.75 — —
SCHEMBL14401577 0.74 KDM4E (0.38) HPGDALDH1A1KDM4EHTTKMT2A

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
WO-2009109457-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE DIRECT DYE COMPRISING A DISULPHIDE/PROTECTED-THIOL FUNCTION AND AT LEAST ONE SILICEOUS COMPOUND COMPRISING A THIOL FUNCTION AND METHOD USING THE COMPOSITION L'OREAL (FR) 2009-09-11 — — WO disclosed
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — EP disclosed
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