Anisaldehyde

Anisaldehyde

SCHEMBL4253513

COc1ccc(-c2nc(CI)c(C)o2)cc1.COc1ccc(C=O)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
POLB P06746 3/20 0.48
TP53 P04637 2/20 0.48
TARBP2 Q15633 1/20 0.48
PDCD4 Q53EL6 1/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP2A6 P11509 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARA Q07869 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1049550 0.89 TARBP2 (0.53) LMNAPOLBTP53TARBP2PDCD4
SCHEMBL9096482 0.84 PPARG (0.58) PPARA
Cuminaldehyde SCHEMBL4262679 0.82 TYR (0.47) POLBKDM4EHSD17B10SMN1; SMN2PPARA
2-Naphthaldehyde SCHEMBL5206558 0.78 DRD2 (0.45) POLBALDH1A1KDM4EMEN1KMT2A
Formic Acid SCHEMBL28387760 0.78 TARBP2 (0.57) LMNAPOLBTP53TARBP2PDCD4
SCHEMBL3973849 0.76 ALDH1A1 (0.48) LMNATP53ALDH1A1MAPTKDM4E
SCHEMBL3538865 0.76 TARBP2 (0.53) LMNAPOLBTP53TARBP2PDCD4
SCHEMBL201829 0.76 TARBP2 (0.53) LMNAPOLBTP53TARBP2PDCD4
SCHEMBL22678886 0.76 TARBP2 (0.53) LMNATP53TARBP2PDCD4ALDH1A1
SCHEMBL28137840 0.76 TARBP2 (0.53) LMNAPOLBTP53TARBP2PDCD4

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 1 patent. 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