SCHEMBL10657629

SCHEMBL10657629

CCOC(=O)c1ccc(/C=C(\C)[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.53
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 2/20 0.51
JAK2 O60674 1/20 0.51
MITF O75030 1/20 0.51
CYP2C9 P11712 1/20 0.51
NTSR1 P30989 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 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
SCHEMBL10657636 1.00 FBP1 (0.53) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL3605327 0.83 FBP1 (0.57) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL3605332 0.83 FBP1 (0.57) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL3605335 0.83 FBP1 (0.57) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL12572262 0.81 CA1 (0.59) MAPTKMT2AALDH1A1LMNACYP1A2
SCHEMBL9391803 0.80 FBP1 (0.50) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL27569293 0.79 PRMT1 (0.63) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL9391796 0.78 FBP1 (0.48) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL9391802 0.78 FBP1 (0.48) FBP1MAPTKMT2AALDH1A1LMNA
SCHEMBL10892986 0.78 FBP1 (0.62) FBP1MAPTKMT2AALDH1A1LMNA

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
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP disclosed