SCHEMBL10656587

SCHEMBL10656587

CCC(=Cc1ccc(C(=O)O)cc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SRD5A2 P31213 1/20 0.42
PRMT1 Q99873 1/20 0.41
EGFR P00533 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR3 P49019 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39

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
SCHEMBL10656582 1.00 FBP1 (0.51) FBP1TDP1ALDH1A1GLAPOLB
SCHEMBL10661519 0.83 ALDH1A1 (0.51) TDP1ALDH1A1POLBEGFRKMT2A
SCHEMBL10661512 0.83 ALDH1A1 (0.51) TDP1ALDH1A1POLBEGFRKMT2A
SCHEMBL8137951 0.82 FBP1 (0.61) FBP1TDP1ALDH1A1PRMT1KMT2A
SCHEMBL23112863 0.82 FBP1 (0.61) FBP1TDP1ALDH1A1PRMT1KMT2A
SCHEMBL13092439 0.81 ESR1 (0.50) FBP1ALDH1A1EGFRKMT2ALMNA
SCHEMBL1032674 0.81 FBP1 (0.47) FBP1ALDH1A1EGFRKMT2ALMNA
SCHEMBL1750291 0.81 FBP1 (0.47) FBP1ALDH1A1EGFRKMT2ALMNA
SCHEMBL7139089 0.79 FBP1 (0.68) FBP1TDP1ALDH1A1GLAPOLB
SCHEMBL6466356 0.79 FBP1 (0.59) FBP1ALDH1A1POLBKMT2ATSHR

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