SCHEMBL4968631

SCHEMBL4968631

CCc1c(O)occc1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.36
FTO Q9C0B1 2/20 0.36
GAA P10253 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
APP P05067 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL31265927 0.77 LMNA (0.38) KDM4ELMNAFTOGAAMAOA
SCHEMBL9311795 0.77 LMNA (0.52) KDM4ELMNAMAPK1FTOGAA
SCHEMBL1608031 0.75
SCHEMBL28681716 0.75 KMT2A (0.39) KDM4ELMNAMAPK1GAAESR1
SCHEMBL6157493 0.71
E637 SCHEMBL1870685 0.71 KDM4E (0.55) KDM4ELMNAMAPK1FTOMAOA
E637 SCHEMBL41817 0.71 KDM4E (0.55) KDM4ELMNAMAPK1FTOMAOA
SCHEMBL10943763 0.70
E637 SCHEMBL23309786 0.69 KDM4E (0.53) KDM4ELMNAMAPK1FTOMAOA
E637 SCHEMBL6657728 0.69 KDM4E (0.53) KDM4ELMNAMAPK1FTOMAOA

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
EP-3856130-B1 ANTIPERSPIRANT OR DEODORANT COMPOSITION FIRMENICH & CIE (CH) 2024-06-12 EP claimed
EP-1515681-B1 NON-CRYSTALLINE PERFUME OR FLAVOUR DELIVERY SYSTEM FIRMENICH & CIE (CH) 2008-09-24 EP claimed
EP-1124443-B1 SOLID DELIVERY SYSTEMS FOR AROMA INGREDIENTS FIRMENICH & CIE (CH) 2005-02-09 EP claimed