SCHEMBL6662700

SCHEMBL6662700

CCCNc1cc(Cl)c2c(c1O)CCC(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 3/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
LMNA P02545 1/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IDO1 P14902 1/20 0.30
PDE7B Q9NP56 1/20 0.30

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
SCHEMBL6656072 0.88 CISD1 (0.37) CISD1LMNACNR2CNR1ALDH1A1
SCHEMBL6658183 0.84 ADRB3 (0.35) ADRB2ADRB1LMNAALDH1A1
SCHEMBL6381410 0.81 CYP3A4 (0.38) ADRB2ADRB1LMNACYP1A2ALDH1A1
SCHEMBL6655341 0.79 LMNA (0.35) CISD1ADRB2ADRB1LMNACNR2
SCHEMBL6382724 0.78 ROCK2 (0.36) LMNACYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL14469888 0.77 CYP1A2 (0.33) CYP1A2CYP11B1CYP11B2
SCHEMBL6657121 0.76 DRD2 (0.38) ADRB2ADRB1IDO1
SCHEMBL9652588 0.75 HSD17B10 (0.42) ADRB2ADRB1LMNACYP1A2CYP11B1
SCHEMBL14452383 0.75 STK10 (0.36) LMNAALDH1A1SMN1; SMN2
SCHEMBL6659302 0.74 CISD1 (0.36) CISD1LMNACNR2CNR1ALDH1A1

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-1438949-A1 Composition for dyeing keratinous fibres comprising an acylaminophenol coupler L'OREAL (FR) 2004-07-21 EP claimed
EP-1438949-A1 Composition for dyeing keratinous fibres comprising an acylaminophenol coupler L'OREAL (FR) 2004-07-21 EP disclosed