SCHEMBL9003273

SCHEMBL9003273

C#CC1CCCCCCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL613454 1.00
SCHEMBL233934 1.00 CES2 (0.33) CES2CES1EPHX1HIF1AALDH1A1
SCHEMBL31069807 1.00 CES2 (0.33) CES2CES1EPHX1HIF1AALDH1A1
SCHEMBL187726 1.00
SCHEMBL5125 0.96
SCHEMBL3003606 0.93
SCHEMBL170348 0.89
SCHEMBL18019588 0.86 THRB (0.32) ALDH1A1
Bromide SCHEMBL6668400 0.83
Bromide SCHEMBL6668403 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497565-B1 Foamable silicone rubber composition and silicone rubber sponge SHINETSU CHEMICAL CO (JP) 1996-09-25 EP disclosed