SCHEMBL8613048

SCHEMBL8613048

C=CCC(CC)(CC=C)C(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL8617817 0.95 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8615816 0.85 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL11876590 0.79 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL7252450 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL1716936 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
Valdetamide SCHEMBL1643080 0.77 HTT (0.40) ALDH1A1TSHR
SCHEMBL1618591 0.77 TSHR (0.38) ALDH1A1TSHR
SCHEMBL1114546 0.76
SCHEMBL31306888 0.76 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL14453246 0.75 TSHR (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827855-A ANTICHOLESTEROL AGENTS TREATING CARDIOVASCULAR DISORDERS; ENZYME INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-10-27 US disclosed
EP-0605230-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-08-27 EP disclosed
US-5451688-A Inhibit biosynthesis of cholesterol SANKYO COMPANY, LIMITED (JP) 1995-09-19 US disclosed
EP-0605230-A1 Hexanhydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-07-06 EP disclosed