SCHEMBL9026366

SCHEMBL9026366

CCCCCCCCOC(=O)C1CCC(C(=O)O)S1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CES2 O00748 1/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL8785622 0.94 ALDH1A1 (0.41) PPARGNAAAHCAR2TSHRMAPK1
SCHEMBL9026354 0.94 NAAA (0.48) PPARGNAAAHCAR2RAD52NPSR1
SCHEMBL8786253 0.87 PPM1B (0.49) HCAR2NPSR1SMN1; SMN2CHRM2CHRM4
SCHEMBL8785613 0.87 ALDH1A1 (0.47) NAAAHCAR2RAD52NPSR1EPHX1
SCHEMBL9032290 0.80 PPM1B (0.46) TSHRGAAPPM1BPTPN1
SCHEMBL9025820 0.76 PPARG (0.43) PPARGNPSR1GAAMAPK1SMN1; SMN2
SCHEMBL17763331 0.76 NAAA (0.52) PPARGNAAAHCAR2EPHX1TSHR
SCHEMBL1297032 0.76 NAAA (0.52) PPARGNAAAHCAR2EPHX1TSHR
SCHEMBL1296841 0.76 NAAA (0.52) PPARGNAAAHCAR2EPHX1TSHR
SCHEMBL5373683 0.76 NAAA (0.52) PPARGNAAAHCAR2EPHX1TSHR

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