SCHEMBL11210249

SCHEMBL11210249

C=C(CCCCCCc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALOX5 P09917 4/20 0.51
ACHE P22303 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
FAAH O00519 3/20 0.48
CES1 P23141 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CBS P35520 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
PHF8 Q9UPP1 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KCNA3 P22001 1/20 0.46

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
SCHEMBL11209239 1.00 MAPT (0.54) MAPTRXFP1ALOX5ACHESGMS1
SCHEMBL11204332 1.00 MAPT (0.54) MAPTRXFP1ALOX5ACHESGMS1
SCHEMBL11204989 1.00 MAPT (0.54) MAPTRXFP1ALOX5ACHESGMS1
SCHEMBL11203911 0.98 ALOX5 (0.53) MAPTRXFP1ALOX5ACHESGMS1
SCHEMBL11133561 0.94 ALOX5 (0.53) MAPTALOX5HDAC1HDAC2ALDH1A1
SCHEMBL7299043 0.88 MAPT (0.53) MAPTALOX5HDAC1HDAC2ALDH1A1
SCHEMBL11206627 0.86 HDAC3 (0.49) MAPTHDAC1HDAC2FAAHALDH1A1
SCHEMBL10384113 0.86 HDAC3 (0.49) MAPTHDAC1HDAC2FAAHALDH1A1
SCHEMBL10875510 0.85 SMN1; SMN2 (0.51) MAPTALOX5HDAC1HDAC2ALDH1A1
SCHEMBL7640337 0.85 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2

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