SCHEMBL9025810

SCHEMBL9025810

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9025801 0.92 MAPK1 (0.37) BTKHRH3MAPK1KMT2AALDH1A1
SCHEMBL9032136 0.80 ALDH1A1 (0.42) KMT2AALDH1A1HSD17B10
SCHEMBL9032134 0.80 ALDH1A1 (0.42) KMT2AALDH1A1HSD17B10
SCHEMBL9032127 0.80 ALDH1A1 (0.42) KMT2AALDH1A1HSD17B10
SCHEMBL9032138 0.80 ALDH1A1 (0.42) KMT2AALDH1A1HSD17B10
SCHEMBL8784941 0.78 PPM1B (0.41) MAPK1KMT2AHSD17B10
SCHEMBL9031664 0.77 NR1H2 (0.34) HRH3MAPK1KMT2AALDH1A1CHRM2
SCHEMBL9031661 0.77 NR1H2 (0.34) HRH3MAPK1KMT2AALDH1A1CHRM2
SCHEMBL9031668 0.77 NR1H2 (0.34) HRH3MAPK1KMT2AALDH1A1CHRM2
SCHEMBL9033676 0.77 NR1H2 (0.34) HRH3MAPK1KMT2AALDH1A1CHRM2

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