SCHEMBL4620034

SCHEMBL4620034

CCCCn1c(C)c(C)s/c1=N\N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.34
RGS4 P49798 4/20 0.33
RGS8 P57771 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
GSK3B P49841 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4620035 1.00 CNR2 (0.39) CNR2CNR1RGS4RGS8ITGB3
SCHEMBL4619968 0.81 CNR2 (0.38) CNR2CNR1ALDH1A1NPC1LMNA
SCHEMBL5278781 0.77 CNR2 (0.39) CNR2CNR1RGS4ALDH1A1CYP1A2
SCHEMBL942848 0.72 RGS4 (0.36) RGS4RGS8GSK3BTSHRALDH1A1
Iodide SCHEMBL945029 0.70 RAB9A (0.39) RGS4RGS8GSK3BTSHRALDH1A1
SCHEMBL4615878 0.69 CNR1 (0.51) CNR2CNR1ALDH1A1LMNAMAPT
SCHEMBL4114417 0.67 RAB9A (0.37) CNR2RGS4ALDH1A1NPC1LMNA
SCHEMBL4615037 0.66 TSHR (0.44) TSHRALDH1A1MAPTL3MBTL1
SCHEMBL5283920 0.66 CNR2 (0.35) CNR2CNR1
SCHEMBL5278489 0.66 CNR2 (0.35) CNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP disclosed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed