SCHEMBL9025801

SCHEMBL9025801

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.33
BTK Q06187 1/20 0.33
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 2/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9025810 0.92 BTK (0.36) MAPK1HRH3CHRM2CHRM1CHRM3
SCHEMBL9032134 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDGAARECQL
SCHEMBL9032127 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDGAARECQL
SCHEMBL9032138 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDGAARECQL
SCHEMBL9032136 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDGAARECQL
SCHEMBL9031661 0.83 NR1H2 (0.34) MAPK1HRH3CHRM2CHRM1CHRM3
SCHEMBL9031664 0.83 NR1H2 (0.34) MAPK1HRH3CHRM2CHRM1CHRM3
SCHEMBL9033676 0.83 NR1H2 (0.34) MAPK1HRH3CHRM2CHRM1CHRM3
SCHEMBL9031668 0.83 NR1H2 (0.34) MAPK1HRH3CHRM2CHRM1CHRM3
SCHEMBL9034069 0.82 ALDH1A1 (0.33) MAPK1HRH3ALDH1A1KMT2A

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