SCHEMBL9025811

SCHEMBL9025811

CC(C)CCOC(=O)C1CCC(C(=O)OCCC(C)C)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP19A1 P11511 1/20 0.35
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 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
SCHEMBL9025820 0.93 PPARG (0.43) PPARGCA12CA1CA2CA9
SCHEMBL9026303 0.81 TSHR (0.39) ALDH1A1KMT2AKDM4ETDP1MAPK1
SCHEMBL1295718 0.79 PPARG (0.47) PPARGCA12CA1CA2CA9
SCHEMBL6141434 0.79 PPARG (0.47) PPARGCA12CA1CA2CA9
SCHEMBL8786241 0.79 PPM1B (0.46) ALDH1A1KMT2AKDM4ETDP1LMNA
SCHEMBL1298177 0.76 PPARG (0.45) PPARGCA12CA1CA2CA9
SCHEMBL8785613 0.76 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1LMNA
SCHEMBL29246690 0.76 PPARG (0.45) PPARGCA12CA1CA2CA9
SCHEMBL780426 0.76 TP53 (0.46) PPARGCA12CA1CA2CA9
SCHEMBL9026311 0.75 RAB9A (0.42) ALDH1A1HTT

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