SCHEMBL9512129

SCHEMBL9512129

[CH]c1cc(OC(C)=O)cc(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
TTR P02766 1/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP19A1 P11511 1/20 0.46
BACE1 P56817 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
ACHE P22303 2/20 0.41
ELANE P08246 2/20 0.41
HSD17B10 Q99714 2/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL2010436 0.87 LMNA (0.59) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL8086922 0.87 PTGS2 (0.42) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL8086921 0.87 PTGS2 (0.42) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL8873022 0.79 LMNA (0.63) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL1701666 0.78 LMNA (0.63) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL919577 0.78 ALDH1A1 (0.55) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL14351002 0.78 CYP3A4 (0.63) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL16953510 0.76 LMNA (0.50) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL3620509 0.76 LMNA (0.64) MAPTKDM4ELMNACYP3A4MEN1
SCHEMBL414964 0.76 LMNA (0.50) MAPTKDM4ELMNACYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357092-B1 Preparation of diacetoxybenzylidene diacetates KUREHA CHEMICAL IND CO LTD (JP) 1993-10-27 EP claimed
EP-0357092-A1 Preparation of diacetoxybenzylidene diacetates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP claimed
EP-0357092-B1 Preparation of diacetoxybenzylidene diacetates KUREHA CHEMICAL IND CO LTD (JP) 1993-10-27 EP disclosed
EP-0147174-B1 DIHYDROXYBENZALDEHYDE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-06-27 EP disclosed
EP-0357092-A1 Preparation of diacetoxybenzylidene diacetates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP disclosed