SCHEMBL9028160

SCHEMBL9028160

CCCc1c(OCc2ccccc2)cc2c(c1CCC=O)OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.34
DHFR P00374 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL9028070 0.86 NPC1 (0.38) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9028672 0.85 NPC1 (0.38) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9028155 0.85 NPC1 (0.38) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9029053 0.85 NPC1 (0.39) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9028667 0.81 MAOB (0.37) NPC1RAB9AMAOBGAA
SCHEMBL9028219 0.79 MAOB (0.36) NPC1RAB9AMAOBGAASMN1; SMN2
SCHEMBL9028487 0.78
SCHEMBL9028802 0.77 MAOB (0.36) NPC1RAB9AMAOBGAASMN1; SMN2
SCHEMBL9027463 0.76 HMGCR (0.38) NPC1RAB9AKMT2A
SCHEMBL9029119 0.72 MAOB (0.38) NPC1RAB9AMAOBL3MBTL1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed