SCHEMBL8728537

SCHEMBL8728537

C=C(OCCC)OCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 4/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL5670479 0.90 LMNA (0.38) HCAR2ALDH1A1TSHRLMNAESR1
SCHEMBL8724744 0.85
SCHEMBL9178365 0.81 ALDH1A1 (0.52) HCAR2ALDH1A1TSHRLMNAESR1
SCHEMBL31321581 0.79 HCAR2 (0.34) HCAR2TSHRHPGD
SCHEMBL891844 0.78
SCHEMBL332824 0.78
SCHEMBL9844237 0.78
SCHEMBL28076190 0.78
SCHEMBL3266107 0.77 ALDH1A1 (0.48) HCAR2ALDH1A1TSHRLMNAESR1
SCHEMBL891996 0.75

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
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
US-5455361-A Process for preparing ketene acetals WACKER-CHEMIE GMBH (DE) 1995-10-03 US disclosed
EP-0589359-B1 Process for the production of ketene acetals WACKER CHEMIE GMBH (DE) 1995-06-28 EP disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0589359-A1 Process for the production of ketene acetals Wacker-Chemie GmbH (DE) 1994-03-30 EP disclosed