SCHEMBL11296404

SCHEMBL11296404

CCCOC(=O)C1(CCCCCCCOc2cccc(Cl)c2)CO1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
HRH3 Q9Y5N1 10/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 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
SCHEMBL957645 0.91 ABCB11 (0.73) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11298734 0.87 ABCB11 (0.59) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11294309 0.85 LMNA (0.82) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11274582 0.85 ABCB11 (0.53) ABCB11LMNAMAPTMAPK1PPARG
SCHEMBL6260288 0.83 KDM4E (0.51) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11297445 0.82 HRH3 (0.50) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11292589 0.81 LMNA (0.65) ABCB11LMNAMAPTMAPK1KDM4E
SCHEMBL11022024 0.81 ABCB11 (0.49) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL7431046 0.81 ABCB11 (0.49) ABCB11LMNAMAPTMAPK1HRH3
SCHEMBL11295685 0.80 MAPK1 (0.66) ABCB11LMNAMAPTMAPK1KDM4E

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