SCHEMBL10875985

SCHEMBL10875985

CCOC(=O)C(CCCC(C)CCCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
MMP8 P22894 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIK1 P39086 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11204299 0.93 TDP1 (0.59) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL11203243 0.88 TDP1 (0.57) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL6714506 0.88 TDP1 (0.65) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL10878509 0.87 MMP8 (0.56) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL11202434 0.87 TDP1 (0.56) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL11201035 0.87 TDP1 (0.56) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL11202095 0.87 TDP1 (0.56) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL10874645 0.87 TDP1 (0.56) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL2422561 0.84 TDP1 (0.56) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1
SCHEMBL8171961 0.84 TDP1 (0.63) TDP1SMN1; SMN2MMP8L3MBTL1MAPK1

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-0071175-B1 PHENYLALKYLOXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-03-12 EP disclosed
EP-0071175-A2 Phenylalkyloxirane-carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-02-09 EP disclosed
WO-1983000334-A1 PHENYLALKYLOXIRANE CARBOXYLIC ACIDS, PREPARATION AND THERAPEUTICAL USE KOHL, BERNHARD 1983-02-03 WO disclosed