SCHEMBL9026311

SCHEMBL9026311

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
TSHR P16473 4/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
GAPDH P04406 1/20 0.30
HSPA1A P0DMV8 1/20 0.30
PTPN7 P35236 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
SCHEMBL9026303 0.93 TSHR (0.39) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9025820 0.83 PPARG (0.43) RAB9AALDH1A1
SCHEMBL9032290 0.80 PPM1B (0.46) TSHRALDH1A1
SCHEMBL8786253 0.77 PPM1B (0.49) RAB9AALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8785015 0.77 TSHR (0.33) TSHRALDH1A1
SCHEMBL9025811 0.75 PPARG (0.41) ALDH1A1HTT
SCHEMBL9025867 0.75 MAPT (0.31)
SCHEMBL8785622 0.75 ALDH1A1 (0.41) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8784941 0.74 PPM1B (0.41) TSHR
SCHEMBL1297949 0.73 RAB9A (0.45) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1

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