SCHEMBL10648917

SCHEMBL10648917

CCOC(=O)/C=C/c1cccc(/C=C/C(=O)OCC)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.54
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.50
HPGD P15428 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL10648924 1.00 STAT3 (0.54) STAT3LMNAKMT2AHPGDPKM
SCHEMBL29302355 0.91 EGFR (0.51) STAT3LMNAKMT2AHPGDPKM
SCHEMBL29137054 0.91 EGFR (0.51) STAT3LMNAKMT2AHPGDPKM
SCHEMBL1177984 0.85 STAT3 (0.60) STAT3LMNAKMT2AHPGDPKM
SCHEMBL6986690 0.85 STAT3 (0.60) STAT3LMNAKMT2AHPGDPKM
SCHEMBL4688056 0.84 STAT3 (0.74) STAT3LMNAKMT2AHPGDMEN1
SCHEMBL12226830 0.84 STAT3 (0.74) STAT3LMNAKMT2AHPGDMEN1
SCHEMBL4688054 0.84 STAT3 (0.74) STAT3LMNAKMT2AHPGDMEN1
SCHEMBL10783189 0.81 CA12 (0.59) STAT3LMNAKMT2AHPGDMEN1
SCHEMBL28855669 0.80 EGFR (0.45) STAT3LMNAKMT2AHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153006-B1 BENZOTRICYCLIC NITROGEN-CONTAINING DIONES AND A PROCESS FOR THE PRODUCTION THEREOF WARNER-LAMBERT COMPANY (US) 1988-07-06 EP disclosed
US-4677112-A 1,2,3,4-tetrahydro-2-oxo-8-quinolineacetic and -propanoic acids and derivatives as cognition activators WARNER-LAMBERT COMPANY (US) 1987-06-30 US disclosed
US-4582909-A Benzobicyclic lactam acids and derivatives as cognition activators WARNER-LAMBERT COMPANY (US) 1986-04-15 US disclosed
EP-0153006-A1 Benzotricyclic nitrogen-containing diones and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0151539-A2 Benzobicyclic lactam acids, their derivatives, an intermediate in the preparation thereof and processes for the production thereof WARNER-LAMBERT COMPANY (US) 1985-08-14 EP disclosed
US-4530929-A Tricyclic containing an imide group WARNER-LAMBERT COMPANY (US) 1985-07-23 US disclosed