SCHEMBL8786241

SCHEMBL8786241

CCCOC(=O)C1CCC(C(=O)OCCC)S1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.46
PTPN1 P18031 1/20 0.46
PPP1CC P36873 1/20 0.46
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 2/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL8786253 0.93 PPM1B (0.49) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL8785613 0.88 ALDH1A1 (0.47) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL9026354 0.85 NAAA (0.48) HCAR2ALDH1A1LMNANPSR1TSHR
SCHEMBL8786063 0.83 PPM1B (0.43) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL68627 0.83 PPM1B (0.43) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL8785622 0.82 ALDH1A1 (0.41) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL9026366 0.79 PPARG (0.45) PPM1BPTPN1HCAR2NPSR1CHRM1
SCHEMBL9025811 0.79 PPARG (0.41) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL9032290 0.76 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL526510 0.76 PPM1B (0.55) PPM1BPTPN1PPP1CCHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387725-B1 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS (JP) 1997-01-22 EP disclosed
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