SCHEMBL3833201

SCHEMBL3833201

CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.43
OPRM1 P35372 1/20 0.41
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35

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
Hydrochloric Acid SCHEMBL11706695 0.99 MEN1 (0.46) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL1580278 0.99 MEN1 (0.46) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL7606663 0.83 TRPM8 (0.44) DNM1TP53SMN1; SMN2HTTOPRM1
Hydrochloric Acid SCHEMBL8585253 0.82 TRPM8 (0.43) DNM1TP53SMN1; SMN2OPRM1ALDH1A1
Bromide SCHEMBL9486638 0.76 TRPM8 (0.38) TP53SMN1; SMN2OPRM1ALDH1A1TRPM8
Hydrochloric Acid SCHEMBL10629698 0.75 TRPM8 (0.42) DNM1TP53SMN1; SMN2OPRM1ALDH1A1
Bromide SCHEMBL2472545 0.75 TRPM8 (0.42) DNM1TP53SMN1; SMN2OPRM1ALDH1A1
Hydrochloric Acid SCHEMBL8602843 0.75 TRPM8 (0.42) DNM1TP53SMN1; SMN2OPRM1ALDH1A1
SCHEMBL11146809 0.74 TRPM8 (0.41) OPRM1ALDH1A1TRPM8
Hydrochloric Acid SCHEMBL14320259 0.72 OPRM1 (0.35) OPRM1ALDH1A1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678289-B1 BAR SOAP COMPOSITION WITH REDUCED BAR WEAR PROPERTIES COLGATE PALMOLIVE CO (US) 2007-04-11 EP claimed
EP-2099892-A1 CLEANSING BAR COMPOSITIONS COMPRISING A HIGH LEVEL OF WATER The Procter and Gamble Company (US) 2009-09-16 EP disclosed
WO-2008070015-A1 CLEANSING BAR COMPOSITIONS COMPRISING A HIGH LEVEL OF WATER THE PROCTER & GAMBLE COMPANY (US) 2008-06-12 WO disclosed