SCHEMBL11297133

SCHEMBL11297133

COC(=O)C1(CCOc2ccc(OC)cc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DRD3 P35462 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ RYR2 Q92736 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL11298272 0.87 MAPT (0.66) MTNR1AMTNR1BMAPTLMNAABCB11
SCHEMBL11294402 0.84 MAPT (0.54) MAPTLMNAABCB11MAPK1GAA
SCHEMBL11265051 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11289014 0.82 MAPT (0.70) MAPTLMNAABCB11MAPK1GAA
SCHEMBL11290903 0.82 MAPT (0.53) MAPTLMNAABCB11MAPK1DRD3
SCHEMBL11292673 0.81 MAPT (0.65) MAPTLMNAABCB11MAPK1DRD3
SCHEMBL15258345 0.80 ABCB11 (0.78) MAPTLMNAABCB11MAPK1GAA
SCHEMBL7431214 0.77 MTNR1A (0.52) MTNR1AMTNR1BMAPTLMNADRD3
SCHEMBL11293676 0.77 ABCB11 (0.57) MAPTLMNAABCB11MAPK1GAA
SCHEMBL11292129 0.74 LMNA (0.64) MAPTLMNAABCB11MAPK1SMN1; SMN2

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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