SCHEMBL8543152

SCHEMBL8543152

CCCCCCCCCCCCCCCCCCN1CCCC(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
BCHE P06276 5/20 0.42
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3734400 1.00 ALOX5 (0.50) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3733576 1.00 ALOX5 (0.50) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3731372 1.00 ALOX5 (0.50) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3738622 1.00 ALOX5 (0.50) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3729557 1.00 ALOX5 (0.50) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3738390 0.98 ALOX5 (0.47) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3889867 0.94 ALOX5 (0.45) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3883794 0.94 ALOX5 (0.45) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3893753 0.94 ALOX5 (0.45) ALOX5ABCB1HTR1AALDH1A1CYP1A2
SCHEMBL3885091 0.94 ALOX5 (0.45) ALOX5ABCB1HTR1AALDH1A1CYP1A2

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
US-5755993-A Peroxygen bleach composition activated by piperidone derivatives COLGATE-PALMOLIVE CO. (US) 1998-05-26 US disclosed
WO-1997024429-A9 PEROXYGEN BLEACH COMPOSITION ACTIVATED BY PIPERIDONE DERIVATIVES 1997-09-04 WO disclosed
WO-1997024429-A1 PEROXYGEN BLEACH COMPOSITION ACTIVATED BY PIPERIDONE DERIVATIVES COLGATE-PALMOLIVE COMPANY (US) 1997-07-10 WO disclosed