SCHEMBL16690037

SCHEMBL16690037

C=CCC(=O)c1cccc(OCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP7 Q9BQF6 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
SCHEMBL17179160 0.79 CA1 (0.39) ALDH1A1HCRTR1MAPTGAAMAPK1
SCHEMBL8117696 0.78 KLK1 (0.56) KLK1KLK5ALDH1A1HCRTR1KCNK3
SCHEMBL539003 0.78 KLK1 (0.52) KLK1KLK5ALDH1A1HCRTR1MAPT
SCHEMBL10585902 0.76 KLK1 (0.58) KLK1KLK5HCRTR1KCNK3KCNK9
SCHEMBL6430271 0.76 TERT (0.46) ALDH1A1KDM4E
SCHEMBL11301733 0.75 KLK1 (0.53) KLK1KLK5HCRTR1KCNK3KCNK9
SCHEMBL9642042 0.74 NPC1 (0.58) ALDH1A1GLAL3MBTL1KMT2ANPC1
SCHEMBL4191441 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13598322 0.74 LIG1 (0.49) KLK1KLK5ALDH1A1GAAMAPK1
SCHEMBL674008 0.73 ALDH1A1 (0.52) KLK1KLK5ALDH1A1HCRTR1MAPT

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
US-9161893-B2 Use, as antidandruff agent, of (ethoxyhydroxyphenyl) alkyl ketone or ethoxyhydroxyalkylphenol compounds L'OREAL (FR) 2015-10-20 — — US disclosed
US-9029422-B2 Use of ((ethoxy)hydroxyphenyl)alkyl ketone or ethoxyhydroxyalkylphenol compounds for treating greasy skin L'OREAL (FR) 2015-05-12 — — US disclosed
Send feedback