Cuminaldehyde

Cuminaldehyde

SCHEMBL3978618

CC(C)c1ccc(C=O)cc1.CCc1oc(-c2ccc(C(C)C)cc2)nc1CI

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
NOTUM Q6P988 2/20 0.39
HDAC6 Q9UBN7 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PPARG P37231 9/20 0.33
PPARA Q07869 8/20 0.33
GRIA4 P48058 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL1045445 0.90 NOTUM (0.43) NOTUMHDAC6HSD17B10KDM4EMEN1
Cuminaldehyde SCHEMBL4262679 0.85 TYR (0.47) TYRNOTUMHSD17B10KDM4ENPC1
2-Naphthaldehyde SCHEMBL4258154 0.79 UTRN (0.40) NOTUMHDAC6HSD17B10KDM4EMEN1
SCHEMBL3974213 0.78 NOTUM (0.39) NOTUMHSD17B10KDM4EMEN1NPC1
SCHEMBL9910120 0.76 PPARG (0.43) HSD17B10KDM4ENPC1RAB9APPARG
SCHEMBL1048319 0.75 PPARG (0.47) NOTUMHSD17B10KDM4ENPC1ALDH1A1
SCHEMBL1928637 0.75 S1PR1 (0.38) NOTUMHSD17B10KDM4EMEN1NPC1
SCHEMBL1051790 0.74 NOTUM (0.45) NOTUMHSD17B10KDM4EMEN1NPC1
SCHEMBL4257935 0.72 NOTUM (0.38) NOTUMKDM4EPPARGPPARAPPARD
SCHEMBL3292160 0.71 IKBKB (0.43) NOTUMHDAC6HSD17B10KDM4ENPC1

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
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
EP-1599452-B1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-20 EP disclosed