SCHEMBL7768484

SCHEMBL7768484

CCOC(=O)C=Cc1ccc(NC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.70
FDPS P14324 2/20 0.67
TTR P02766 1/20 0.57
DPP4 P27487 1/20 0.57
APP P05067 2/20 0.56
ACHE P22303 4/20 0.55
BCHE P06276 3/20 0.55
CA12 O43570 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
EPHX2 P34913 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
NFE2L2 Q16236 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL7772744 0.88 MAOB (0.68) MAOBFDPSTTRDPP4ACHE
SCHEMBL7764790 0.86 MAOB (0.65) MAOBFDPSTTRDPP4ACHE
SCHEMBL7768724 0.85 TTR (0.61) MAOBFDPSTTRDPP4APP
SCHEMBL28859349 0.85 FDPS (0.84) MAOBFDPSTTRDPP4APP
SCHEMBL28859350 0.85 FDPS (0.84) MAOBFDPSTTRDPP4APP
SCHEMBL8046247 0.85 FDPS (0.84) MAOBFDPSTTRDPP4APP
SCHEMBL8046251 0.85 FDPS (0.84) MAOBFDPSTTRDPP4APP
SCHEMBL31087309 0.85 FDPS (0.84) MAOBFDPSTTRDPP4APP
SCHEMBL30740002 0.83 MAOB (0.77) MAOBFDPSTTRDPP4ACHE
SCHEMBL14600054 0.83 MAOB (0.77) MAOBFDPSTTRDPP4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912509-B1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-07-11 EP disclosed
US-6177408-B1 COMPOUNDS SUCH AS 3-(1-METHYL-4(1-METHYL-4(1-METHYL-4(4-N,N-BIS(2 -CHLOROETHYL)AMINOCINNAMOYLAMIDO)PYRROLE-2-CARBOXAMIDO)PYRROLE-2 -CARBOXAMIDO)PYRROLE-2-CARBOXAMIDO)PROPIONAMIDINE PHARMACIA & UPJOHN S.P.A. (IT) 2001-01-23 US disclosed
EP-0912509-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-05-06 EP disclosed
WO-1997043258-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-20 WO disclosed