SCHEMBL9025858

SCHEMBL9025858

CCC(C)OC(=O)C1CCC(C(=O)OC(C)CC)S1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSH P09668 2/20 0.31
CTSK P43235 2/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9025867 0.93 MAPT (0.31) MAPTL3MBTL1
SCHEMBL8785007 0.79 TSHR (0.39) MAPT
SCHEMBL5370039 0.78 ACACB (0.36) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL2990263 0.78 ACACB (0.36) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL2986183 0.78 ACACB (0.36) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL10321962 0.78 ACACB (0.36) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL2984985 0.74 HPGD (0.41) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL2991371 0.74 HPGD (0.41) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL5513339 0.74 TP53 (0.39) EPHX2CTSLCTSBCTSHCTSK
SCHEMBL10321883 0.74 HPGD (0.41) EPHX2CTSLCTSBCTSHCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719774-A1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-07-03 EP disclosed
US-5310940-A Sulfiding, cyclization SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-05-10 US disclosed
US-5221749-A Reacting a thiophene,2,5-dicarboxylic acid diester with a 2-aminophenol in the presence of an acid catalyst SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-06-22 US disclosed
US-5093504-A PRODUCTION OF THIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS, TETRAHYDROTHIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS AND DIBENZOXAZOLYLTHIOPHENES SUMITOMO SEIKA CHEMICALS, CO., LTD. (JP) 1992-03-03 US disclosed
EP-0387725-A2 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-09-19 EP disclosed