SCHEMBL5826164

SCHEMBL5826164

[CH2]CCCCCCCCOCC(CC)CCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.64
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
PLA2G2C Q5R387 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
CA2 P00918 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL6939839 1.00 CYP3A4 (0.64) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL8457151 1.00 CYP3A4 (0.64) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL6937187 0.98 CYP3A4 (0.66) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL7574978 0.93 CYP3A4 (0.53) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL3412198 0.93 CYP3A4 (0.68) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5481187 0.91 CYP3A4 (0.75) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5474996 0.91 CYP3A4 (0.75) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5469337 0.91 CYP3A4 (0.75) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL7997296 0.89 CYP3A4 (0.72) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL6675954 0.89 CYP3A4 (0.72) CYP3A4MMP9MMP8MMP14ALDH1A1

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
JP-2006273728-A EDG FAMILY RECEPTOR AGONIST KAO CORP 2006-10-12 JP disclosed
US-6329409-B1 PREVENTING EFFECTS (WRINKLE, PIGMENTATION) ON AGING OF SKIN KAO CORPORATION (JP) 2001-12-11 US disclosed
EP-1116712-A1 AMINE DERIVATIVES AND SKIN PREPARATIONS FOR EXTERNAL USE CONTAINING THE SAME Kao Corporation (JP) 2001-07-18 EP disclosed