SCHEMBL6264086

SCHEMBL6264086

O=C(O)C1(CCCCOc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.52
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
NR4A2 P43354 1/20 0.46
EPHX2 P34913 1/20 0.46
MCL1 Q07820 1/20 0.46
USP2 O75604 1/20 0.46
MAOB P27338 1/20 0.46
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 1/20 0.43
KCNA3 P22001 1/20 0.43
KCNA5 P22460 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
SCHEMBL11020498 0.88 MRGPRX4 (0.47) MRGPRX4KDM4EALDH1A1GAALMNA
SCHEMBL11290182 0.87 KDM4E (0.48) MRGPRX4KDM4EALDH1A1GAALMNA
SCHEMBL11295569 0.86 KDM4E (0.47) MRGPRX4KDM4EALDH1A1GAALMNA
SCHEMBL956571 0.85 LMNA (0.60) MRGPRX4KDM4EALDH1A1GAALMNA
SCHEMBL11289835 0.83 LMNA (0.54) MRGPRX4KDM4EALDH1A1GAALMNA
SCHEMBL6260288 0.81 KDM4E (0.51) KDM4EALDH1A1LMNAPPARG
Dechloroetomoxir SCHEMBL10436254 0.81 ABCB11 (0.54) LMNAL3MBTL1KCNA3
Dechloroetomoxir SCHEMBL6262443 0.81 ABCB11 (0.54) LMNAL3MBTL1KCNA3
SCHEMBL10436502 0.81 ABCB11 (0.54) LMNAL3MBTL1KCNA3
SCHEMBL11297445 0.81 HRH3 (0.50) KDM4EALDH1A1LMNAPPARG

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-1275390-B1 Medicament for treatment of heart failure WOLF HORST P O (DE) 2005-11-02 EP claimed
EP-0231367-B1 USE OF OXIRANCARBOXYLIC ACIDS FOR THE TREATMENT OF HYPERLIPEMIA Wolf, Horst P.O., Dr. (DE) 1991-07-24 EP claimed
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 claimed