SCHEMBL29640498

SCHEMBL29640498

COCc1ccc(OC=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
ALDH1A1 P00352 3/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
ERN1 O75460 2/20 0.44
TUBB1 Q9H4B7 1/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LDHA P00338 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PTGS1 P23219 1/20 0.41
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL23458348 1.00 CA2 (0.48) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL23457668 0.85 TACR2 (0.45) ALDH1A1TUBB1ATMTSHRPOLB
SCHEMBL20734996 0.84 CA2 (0.50) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL291363 0.83 CA2 (0.68) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL19789577 0.83 CA2 (0.48) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL29639720 0.83 CA2 (0.48) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL2818747 0.81 ATM (0.50) CA2ALDH1A1ATMKDM4EPOLB
SCHEMBL31344420 0.80 ALDH1A1 (0.75) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL29813 0.80 ALDH1A1 (0.75) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL28276706 0.79 ALDH1A1 (0.73) ALDH1A1PPARGPPARDPPARAKDM4E

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-4007748-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2022-06-08 EP disclosed