SCHEMBL8545301

SCHEMBL8545301

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2B P29275 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRA6 Q16445 1/20 0.39

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
SCHEMBL8545304 0.93 DAO (0.43) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL13296184 0.88 CES2 (0.47) TSHRNPSR1L3MBTL1HPGDMAPT
SCHEMBL8590369 0.85 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL9025953 0.82 ALDH1A1 (0.51) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL8545140 0.79 CA12 (0.50) HDAC3HDAC4HDAC1HDAC6NPSR1
SCHEMBL1965809 0.78 CA12 (0.53) TSHRNPSR1L3MBTL1MAPTALDH1A1
SCHEMBL10415350 0.76 GSK3B (0.38) L3MBTL1HPGDMAPTGABRA1GABRG2
SCHEMBL29224871 0.76 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL6231293 0.74 ALDH1A1 (0.58) TSHRL3MBTL1MAPK1MAPTALDH1A1
SCHEMBL163708 0.74 L3MBTL1 (0.36) 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