SCHEMBL11209470

SCHEMBL11209470

CCCCCCC(C)(O)CC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
GAA P10253 1/20 0.40
SMPD1 P17405 1/20 0.40
FDPS P14324 8/20 0.39
GGPS1 O95749 5/20 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
SCHEMBL959455 0.98 MEN1 (0.42) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL10618891 0.93 GAA (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL10618879 0.93 GAA (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL10618886 0.93 GAA (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL7250728 0.85 GAA (0.44) CYP4F2CYP4A11GAA
SCHEMBL20457453 0.84 FFAR1 (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL19861329 0.84 FFAR1 (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL19861159 0.82 MEN1 (0.49) MEN1MAPTKMT2AATML3MBTL1
Ammonia Solution, Strong SCHEMBL27574672 0.82 MEN1 (0.49) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL21961903 0.81 MEN1 (0.46) MEN1KMT2ASMPD1FDPSGGPS1

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-0007180-B1 PROSTAGLANDIN ANALOGUE TRIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-03-30 EP disclosed
US-4294972-A ANTIULCER AGENTS, CARDIOVASCULAR DISORDERS BEECHAM GROUP LIMITED (GB) 1981-10-13 US disclosed
EP-0007180-A1 Prostaglandin analogue triazole derivatives, processes for their preparation and a pharmaceutical composition containing them BEECHAM GROUP PLC (GB) 1980-01-23 EP disclosed
US-4119726-A ANTISECRETORY AGENTS, BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1978-10-10 US disclosed