SCHEMBL11022010

SCHEMBL11022010

CCOC(=O)OC1(CCCCCCCOc2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CPT1A P50416 1/20 0.42
PPARA Q07869 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAOB P27338 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
FFAR1 O14842 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PPARG P37231 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL6264573 0.88 LMNA (0.53) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL7432301 0.88 LMNA (0.53) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL6265451 0.86 L3MBTL1 (0.46) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL7433095 0.86 LMNA (0.53) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11205593 0.86 HDAC1 (0.41) MAPTPPARAMEN1KMT2AEPHX2
SCHEMBL6262433 0.85 MAPT (0.68) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL6550151 0.85 GAA (0.56) ABCB11LMNAMAPTMAPK1MAOB
SCHEMBL6262992 0.85 MAPT (0.68) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL6263163 0.85 MAPT (0.52) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL7426444 0.85 MAPT (0.52) ABCB11LMNAMAPTMAPK1MEN1

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 2 patents. 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
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed