SCHEMBL11205643

SCHEMBL11205643

CCOC(=O)C(CCCc1ccc(C)cc1)C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TDP1 Q9NUW8 5/20 0.53
L3MBTL1 Q9Y468 6/20 0.48
MAPK1 P28482 4/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL9670491 0.95 TDP1 (0.57) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL11210888 0.94 MEN1 (0.57) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL11276809 0.90 MEN1 (0.59) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL11132195 0.88 MEN1 (0.55) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL11205217 0.87 TDP1 (0.51) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL13009606 0.87 TDP1 (0.50) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL11038591 0.87 PPARA (0.51) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL6714506 0.87 TDP1 (0.65) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL11206752 0.86 TDP1 (0.57) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL10566989 0.85 TDP1 (0.51) MEN1KMT2ATDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed