SCHEMBL8728683

SCHEMBL8728683

CCCCOC/C=C/C(C)OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LPAR1 Q92633 5/20 0.32
LPAR3 Q9UBY5 5/20 0.32
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31
CYP3A4 P08684 1/20 0.31
LPAR6 P43657 3/20 0.30
LPAR4 Q99677 3/20 0.30
LPAR5 Q9H1C0 3/20 0.30
LPAR2 Q9HBW0 3/20 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
SCHEMBL8728694 1.00 TSHR (0.34) TSHRLPAR1LPAR3PRKD3PRKCG
SCHEMBL8728587 0.79
SCHEMBL8728600 0.79
SCHEMBL16408077 0.78 TSHR (0.35) TSHRCYP3A4
SCHEMBL30297390 0.76 TSHR (0.48) TSHRCYP3A4
SCHEMBL5520472 0.76 TSHR (0.48) TSHRCYP3A4
SCHEMBL5520469 0.76 TSHR (0.48) TSHRCYP3A4
SCHEMBL10170027 0.76 TSHR (0.48) TSHRCYP3A4
SCHEMBL10597400 0.71 TSHR (0.40) TSHRLPAR1LPAR3PRKD3PRKCG
SCHEMBL4293263 0.70

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