SCHEMBL15511468

SCHEMBL15511468

CCCCC(CC)COCCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
HRH3 Q9Y5N1 9/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 2/20 0.38
HRH1 P35367 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL31617022 0.88 CYP3A4 (0.49) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL21348327 0.84 CYP3A4 (0.41) CYP3A4ALDH1A1L3MBTL1LTA4HCYP2D6
SCHEMBL31616969 0.79 MMP9 (0.40) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL15510652 0.78 HRH3 (0.53) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL5469162 0.78 CYP3A4 (0.78) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL2241603 0.78 CYP3A4 (0.78) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL31502841 0.77 CYP3A4 (0.40) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL22193259 0.77 ALDH1A1 (0.43) CYP3A4ALDH1A1HRH3L3MBTL1SLC6A2
SCHEMBL15510498 0.77 LTA4H (0.53) ALDH1A1HRH3L3MBTL1SLC6A2HRH1
SCHEMBL31616929 0.77 USP2 (0.42) CYP3A4ALDH1A1MMP9MMP8MMP14

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-2708529-B1 METHOD FOR MANUFACTURING PARTICLES SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9796831-B2 Process for producing particles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-24 US disclosed
EP-2708529-A1 METHOD FOR MANUFACTURING PARTICLES Sumitomo Chemical Company Limited (JP) 2014-03-19 EP disclosed
US-20140065337-A1 PROCESS FOR PRODUCING PARTICLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-06 US disclosed