SCHEMBL11269019

SCHEMBL11269019

CC(C)OC(=O)C1(CCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 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
SCHEMBL11272688 0.95 ABCB11 (0.52) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11296928 0.86 ABCB11 (0.43) ABCB11LMNAMAPTMAPK1CYP4F2
SCHEMBL11264433 0.83 LMNA (0.68) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11289727 0.81 ABCB11 (0.73) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL15256797 0.81 ABCB11 (0.73) ABCB11LMNAMAPTMAPK1MEN1
SCHEMBL11259226 0.81 ABCB11 (0.56) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11208506 0.80 PPARA (0.37) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11206802 0.79 MAPK1 (0.43) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11176469 0.79 LMNA (0.59) ABCB11LMNAMAPTMAPK1PPARA
SCHEMBL11268901 0.79 LMNA (0.72) 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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed