SCHEMBL11022095

SCHEMBL11022095

COC(=O)OC1(CCCCOc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
FAAH O00519 2/20 0.44
PPARG P37231 3/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARA Q07869 1/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
SLC22A12 Q96S37 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
SCHEMBL11022084 0.99 KDM4E (0.48) KDM4EALDH1A1GAAMRGPRX4LMNA
SCHEMBL11017742 0.99 KDM4E (0.48) KDM4EALDH1A1GAAMRGPRX4LMNA
SCHEMBL6265451 0.90 L3MBTL1 (0.46) KDM4EALDH1A1GAAMRGPRX4LMNA
SCHEMBL11210108 0.83 HDAC1 (0.47) KDM4EGAALMNAMAOBKMT2A
SCHEMBL11206711 0.83 HDAC1 (0.47) KDM4EGAALMNAMAOBKMT2A
SCHEMBL11020225 0.83 L3MBTL1 (0.47) KDM4EALDH1A1GAAMRGPRX4LMNA
SCHEMBL11290182 0.83 KDM4E (0.48) KDM4EALDH1A1GAAMRGPRX4LMNA
SCHEMBL11295569 0.82 KDM4E (0.47) KDM4EALDH1A1GAAMRGPRX4LMNA
SCHEMBL7431979 0.81 HDAC1 (0.41) KDM4ELMNAHTTUSP2ALOX5
SCHEMBL6264086 0.79 MRGPRX4 (0.52) KDM4EALDH1A1GAAMRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed