SCHEMBL169004

SCHEMBL169004

CCCCCCCCCCCCCCCCCCNCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.65
HPGD P15428 1/20 0.50
DUSP3 P51452 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN2A Q99250 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 3/20 0.47

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
SCHEMBL20966331 1.00 PAOX (0.65) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL540786 0.98 PAOX (0.62) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL7326838 0.93 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL18513274 0.93 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL18995662 0.93 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL26941306 0.93 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL2238005 0.93 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL3200520 0.89 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL31616976 0.88 PAOX (0.52) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL31617073 0.88 PAOX (0.52) PAOXHPGDDUSP3ALDH1A1MAPK1

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-2424354-A2 MOISTURIZING ANTIMICROBIAL COMPOSITION Signal Investment & Management Co. (US) 2012-03-07 EP claimed
WO-2010127231-A2 MOISTURIZING ANTIMICROBIAL COMPOSITION SIGNAL INVESTMENT AND MANAGEMENT CO. (US) 2010-11-04 WO claimed