SCHEMBL11076113

SCHEMBL11076113

CC(C)OC(=O)C1(CCCCCCC2CCC2)CO1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR119 Q8TDV5 6/20 0.33
NAAA Q02083 3/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL11076967 0.96 NAAA (0.36) ABCB11NAAA
SCHEMBL11068024 0.96 NAAA (0.34) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11074120 0.86 NAAA (0.37) GPR119NAAA
SCHEMBL11080029 0.85 ABCB11 (0.34) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11078190 0.85 ABCB11 (0.34) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11073755 0.85 CTSL (0.34)
SCHEMBL11077066 0.85 CYP4F2 (0.38) ABCB11LMNAMAPTMAPK1GPR119
SCHEMBL11071353 0.84 ABCB11 (0.38) ABCB11LMNAMAPTMAPK1GPR119
SCHEMBL11066327 0.82 ABCB11 (0.51) ABCB11LMNAMAPTMAPK1GPR119
SCHEMBL11075403 0.82 ABCB11 (0.51) ABCB11LMNAMAPTMAPK1GPR119

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-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed