SCHEMBL9028190

SCHEMBL9028190

CCCc1cc2c(c(C)c1O)CC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
HIF1A Q16665 1/20 0.32
DHFR P00374 1/20 0.32
ALOX5 P09917 3/20 0.31
TRPV1 Q8NER1 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TRPA1 O75762 2/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
TRPV3 Q8NET8 2/20 0.30
TRPV4 Q9HBA0 2/20 0.30

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
SCHEMBL6130778 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL9028997 0.77 LDHA (0.35) MAOAALDH1A1KDM4EMAPTGAA
SCHEMBL10460200 0.73 MAOA (0.37) MAOAALDH1A1KDM4EMAPTGAA
SCHEMBL9028187 0.73 CA1 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL6769049 0.73 SMN1; SMN2 (0.39) ALDH1A1KDM4EMAPTHIF1ARAB9A
SCHEMBL9029066 0.72 MAOB (0.45) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL8633979 0.69 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5537657 0.66 MAPT (0.42) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL3592511 0.65 ALDH1A1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL658523 0.65 ALDH1A1 (0.32) ALDH1A1KDM4EMAPT

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