SCHEMBL11293676

SCHEMBL11293676

COC(=O)C1(CCCCCCOc2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ EPHX2 P34913 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CPT1A P50416 1/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ NOS1 P29475 1/20 0.39

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
SCHEMBL11294563 0.88 ABCB11 (0.73) ABCB11LMNAMAPTMAPK1EPHX2
SCHEMBL11295569 0.86 KDM4E (0.47) ABCB11LMNAMAPTMAPK1EPHX2
SCHEMBL11290182 0.85 KDM4E (0.48) ABCB11LMNAMAPTMAPK1EPHX2
SCHEMBL11292673 0.85 MAPT (0.65) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL15258345 0.84 ABCB11 (0.78) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11289014 0.79 MAPT (0.70) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11290903 0.79 MAPT (0.53) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11292357 0.77 LMNA (0.60) ABCB11LMNAMAPTMAPK1ALDH1A1
SCHEMBL11297133 0.77 MTNR1A (0.51) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11289835 0.76 LMNA (0.54) ABCB11LMNAMAPTMAPK1PPARA

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
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 — — US disclosed
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