SCHEMBL9740375

SCHEMBL9740375

COc1cc(C=C2CC(=O)OC2=O)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 7/20 0.60
ALDH1A1 P00352 6/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
LY96 Q9Y6Y9 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
PKM P14618 1/20 0.60
XBP1 P17861 1/20 0.60
PAX8 Q06710 1/20 0.60
HSD17B3 P37058 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAOB P27338 1/20 0.53
HTT P42858 2/20 0.51

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
SCHEMBL9740370 1.00 ATM (0.61) ATMKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9123520 0.87 MAPT (0.61) ATMKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL10335357 0.84 MAPT (0.61) ATMKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9048733 0.75 CA12 (0.41) KDM4ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9048726 0.75 CA12 (0.41) KDM4ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9049778 0.75 DYRK1A (0.59) KDM4ESMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL11610072 0.75 MAPT (1.00) ATMKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL10062876 0.75 MAPT (1.00) ATMKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9049784 0.75 DYRK1A (0.59) KDM4ESMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL11610067 0.75 MAPT (1.00) ATMKDM4ESMN1; SMN2LMNAMAPT

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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed