SCHEMBL11206752

SCHEMBL11206752

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GLA P06280 1/20 0.55
ALOX5 P09917 1/20 0.54
CALM1 P0DP23 1/20 0.50
LDHA P00338 1/20 0.49
MAPT P10636 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
F2RL1 P55085 1/20 0.47

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
SCHEMBL11205148 0.94 LDHA (0.54) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL7641920 0.93 KMT2A (0.51) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL28126623 0.91 KMT2A (0.57) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL9670491 0.91 TDP1 (0.57) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL11246312 0.90 KMT2A (0.49) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL1237067 0.87 GLA (0.54) ALDH1A1KMT2AGLAALOX5CALM1
SCHEMBL1238474 0.87 GLA (0.54) ALDH1A1KMT2AGLAALOX5CALM1
SCHEMBL8710489 0.87 KMT2A (0.54) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL11205643 0.86 MEN1 (0.65) TDP1L3MBTL1MAPK1ALDH1A1TSHR
SCHEMBL1238406 0.85 KMT2A (0.52) ALDH1A1KMT2AGLAALOX5CALM1

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