SCHEMBL8725962

SCHEMBL8725962

Cc1cc(C)c(CO[NH])c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL18461384 0.80 HRH3 (0.36) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL7890511 0.79 HRH3 (0.39) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL3807690 0.77 HPGD (0.44) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL6142873 0.75 CYP11B1 (0.38) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL11783876 0.75 ALDH1A1 (0.38) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL18458915 0.75 HRH3 (0.36) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL6488234 0.75 AGXT (0.44) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL27983593 0.75 HTR1D (0.37) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL5702537 0.73 HRH3 (0.35) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL14443342 0.73 NOS3 (0.33) HRH3RAPGEF4CYP11B1CYP11B2HTR1D

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-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed