SCHEMBL8549434

SCHEMBL8549434

CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GRM6 O15303 1/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL5919206 0.92 LMNA (0.53) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL8549436 0.92 DAO (0.48) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL16942053 0.90 ALDH1A1 (0.39) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL4345360 0.88 DAO (0.53) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL1185564 0.87 HPGD (0.44) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL17900427 0.86 GRM6 (0.43) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL5043396 0.86 CES2 (0.53) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL15079224 0.86 GSK3B (0.51) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL18152937 0.84 ALDH1A1 (0.36) TSHRNPSR1L3MBTL1HPGDMAPK1
SCHEMBL23791955 0.83 ALDH1A1 (0.38) TSHRNPSR1L3MBTL1HPGDMAPK1

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-0719774-B1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS (JP) 1998-06-03 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