Octocrylene

Octocrylene

SCHEMBL28123035

CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1.[Zn]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.98
LMNA P02545 3/20 0.98
MAPK1 P28482 3/20 0.98
CYP3A4 P08684 3/20 0.53
CA2 P00918 1/20 0.53
PRSS1 P07477 2/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.38
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
KDM4E B2RXH2 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
Octocrylene SCHEMBL16483 0.99 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL1769135 0.99 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL19583477 0.97 ALDH1A1 (0.95) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL818975 0.95 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL8180706 0.95 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL13492185 0.95 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL14300480 0.94 ALDH1A1 (0.91) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL9069193 0.93 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL16806267 0.93 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL9069191 0.93 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1CYP3A4CA2

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
CN-106659280-A Article providing long lasting fragrance 宝洁公司 2017-05-10 CN disclosed
CN-106470661-A Article providing long lasting fragrance 宝洁公司 2017-03-01 CN disclosed
CN-106456816-A Dispenser with two reservoirs 宝洁公司 2017-02-22 CN disclosed