SCHEMBL8612306

SCHEMBL8612306

CCCC(C)(CC)C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.36
FDPS P14324 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8611588 1.00 TDP1 (0.37) TDP1TSHRFDPSALDH1A1LMNA
SCHEMBL8611855 1.00 TDP1 (0.37) TDP1TSHRFDPSALDH1A1LMNA
SCHEMBL8612393 0.90 TDP1 (0.40) TDP1TSHRFDPSALDH1A1LMNA
SCHEMBL11240509 0.86 ALDH1A1 (0.41) TDP1TSHRFDPSALDH1A1TP53
SCHEMBL18027879 0.84 ALDH1A1 (0.41) TSHRFDPSALDH1A1TP53
SCHEMBL7280456 0.84
SCHEMBL10271079 0.82 ALDH1A1 (0.45) TSHRFDPSALDH1A1
SCHEMBL13282955 0.81 TDP1 (0.30) TDP1
SCHEMBL24213867 0.79 TDP1 (0.35) TDP1TSHRALDH1A1TP53
SCHEMBL240164 0.79 ALDH1A1 (0.37) TDP1TSHRFDPSALDH1A1LMNA

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 6 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
US-4969950-A Triazole compounds and methods for regulating plant growth BASF AKTIENGESELLSCHAFT (DE) 1990-11-13 US disclosed
EP-0291852-A1 Triazole compounds, process for their preparation and method for plant growth regulation BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed