SCHEMBL9028477

SCHEMBL9028477

Cc1c(C=CC=O)c2c(c(C)c1OCc1ccccc1)CCC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
PSEN1 P49768 4/20 0.34
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HPD P32754 1/20 0.32
PTPN1 P18031 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9028469 1.00 CDK4 (0.40) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL9029017 0.91 CDK4 (0.41) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL9029023 0.91 CDK4 (0.41) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL9028233 0.89 LMNA (0.36) LMNAGAAPSEN1MAOBHPGD
SCHEMBL9028428 0.84 LMNA (0.33) LMNAGAAPSEN1MAOBHPGD
SCHEMBL9028421 0.84 LMNA (0.33) LMNAGAAPSEN1MAOBHPGD
SCHEMBL8308667 0.82 PSEN1 (0.45) LMNAGAAPSEN1MAOBHPGD
SCHEMBL9027439 0.79 MAOB (0.41) LMNAGAAMAOBHPGDHPD
SCHEMBL9028981 0.79 PSEN1 (0.34) LMNAGAAPSEN1MAOBHPGD
SCHEMBL5957804 0.78 PSEN1 (0.40) LMNAGAAPSEN1MAOBHPGD

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