SCHEMBL11076758

SCHEMBL11076758

CCCCOC(=O)C1(CCCCCCOCCCC2CC2)CO1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CES2 O00748 2/20 0.41
ALDH1A1 P00352 1/20 0.35
NAAA Q02083 2/20 0.35
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR119 Q8TDV5 3/20 0.34

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
SCHEMBL11077800 0.90 ABCB11 (0.40) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11071475 0.88 ABCB11 (0.45) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11078384 0.87 ABCB11 (0.44) ABCB11LMNAMAPTMAPK1ALDH1A1
SCHEMBL11070504 0.86 SMN1; SMN2 (0.41) ABCB11NAAA
SCHEMBL11068114 0.86 ABCB11 (0.41) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11077615 0.85 CYP1A2 (0.44) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11156354 0.84 LMNA (0.54) ABCB11LMNAMAPTMAPK1CES2
SCHEMBL11073550 0.82 ABCB11 (0.53) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11073121 0.82 ABCB11 (0.40) ABCB11LMNAMAPTMAPK1NAAA
SCHEMBL11080350 0.81 ABCB11 (0.44) ABCB11LMNAMAPTMAPK1CES2

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