SCHEMBL11210243

SCHEMBL11210243

CCOC(=O)C(CCCc1cccc(Cl)c1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.45
ALOX5 P09917 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MAOB P27338 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL11202312 0.95 MAPK1 (0.49) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7635571 0.93 MAPK1 (0.48) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL18473844 0.92 MAPK1 (0.52) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL13959630 0.85 CYP4F2 (0.47) MAPK1ALDH1A1CYP4F2CYP4A11KMT2A
SCHEMBL7061966 0.85 MAPK1 (0.46) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2422171 0.82 MMP8 (0.52) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL11038591 0.82 PPARA (0.51) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL2178506 0.82 MAPK1 (0.70) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL6714506 0.82 TDP1 (0.65) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL11205226 0.82 TSHR (0.52) MAPK1L3MBTL1TDP1TSHRALDH1A1

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-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
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 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