SCHEMBL4453371

SCHEMBL4453371

CCCOC[C](CC)OCCC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9825663 0.83 HSD17B10 (0.34) HSD17B10CES2HCAR2
SCHEMBL17730538 0.81
SCHEMBL5746753 0.75 ALDH1A1 (0.41) HSD17B10CES2HCAR2ALDH1A1TDP1
SCHEMBL4398155 0.74 HSD17B10 (0.39) HSD17B10CES2HCAR2ALDH1A1TDP1
SCHEMBL2966833 0.72
SCHEMBL11294444 0.72 ALDH1A1 (0.31) HSD17B10ALDH1A1TDP1
SCHEMBL1298793 0.70 HSD17B10 (0.40) HSD17B10CES2TDP1
SCHEMBL1058897 0.70 NAAA (0.41) HSD17B10CES2HCAR2ALDH1A1TDP1
SCHEMBL294859 0.69
SCHEMBL1298067 0.69

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
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP disclosed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US disclosed