SCHEMBL795901

SCHEMBL795901

Cc1cc(C2CC3CCC2C3)[nH]c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
NPC1 O15118 2/20 0.34
BRD4 O60885 1/20 0.33
SLC6A3 Q01959 5/20 0.33
RAB9A P51151 1/20 0.33
SLC6A4 P31645 4/20 0.32

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
SCHEMBL11816336 0.74 KCNQ3 (0.44) JAK2JAK1TYK2JAK3MEN1
SCHEMBL795977 0.72 DAO (0.46) JAK2JAK1TYK2JAK3NPC1
SCHEMBL2551804 0.67 MAPK1 (0.50) MEN1GAAKMT2A
SCHEMBL28475558 0.67 MEN1 (0.54) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21430697 0.67 CA1 (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL899857 0.66 MEN1 (0.76) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL30311450 0.66 JAK2 (0.40) JAK2JAK1TYK2JAK3MEN1
SCHEMBL11816345 0.66 MEN1 (0.53) JAK2JAK1TYK2JAK3MEN1
SCHEMBL9608274 0.66 MEN1 (0.76) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL903019 0.66 MEN1 (0.76) MEN1POLBGAAKMT2AKCNQ3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4241758-A2 ANTI-DANDRUFF COMPOSITION L'OREAL (FR) 2023-09-13 EP disclosed
EP-2934454-A1 ANTI-DANDRUFF COMPOSITION L'Oréal (FR) 2015-10-28 EP disclosed
WO-2014095625-A1 ANTI-DANDRUFF COMPOSITION L'OREAL (FR) 2014-06-26 WO disclosed
EP-2616042-A1 COSMETIC COMPOSITION COMPRISING A FIXING POLYMER AND AN ANTIDANDRUFF AGENT L'Oréal (FR) 2013-07-24 EP disclosed
WO-2012035053-A1 COSMETIC COMPOSITION COMPRISING A FIXING POLYMER AND AN ANTIDANDRUFF AGENT L'OREAL (FR) 2012-03-22 WO disclosed
EP-0422508-A2 Liquid detergent composition KAO CORPORATION (JP) 1991-04-17 EP disclosed