SCHEMBL7769917

SCHEMBL7769917

CCNc1cccc(C=CC(=O)OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
DPP4 P27487 1/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAOB P27338 1/20 0.51
CYP3A4 P08684 1/20 0.50
FDPS P14324 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.47
ALOX5 P09917 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL4427602 0.85 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL4427604 0.85 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL4665329 0.85 TTR (0.55) TTRDPP4CA12CA1CA2
SCHEMBL4665327 0.85 TTR (0.55) TTRDPP4CA12CA1CA2
SCHEMBL27414274 0.84 TTR (0.53) TTRDPP4CA12CA1CA2
SCHEMBL10267949 0.83 POLB (0.53) TTRDPP4MEN1KMT2AALDH1A1
SCHEMBL7772753 0.82 CA12 (0.67) TTRDPP4CA12CA1CA2
SCHEMBL1269502 0.81 TTR (0.63) TTRDPP4CA12CA1CA2
SCHEMBL3752885 0.81 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL1269501 0.81 TTR (0.63) TTRDPP4CA12CA1CA2

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