SCHEMBL8545304

SCHEMBL8545304

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.43
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 1/20 0.40
LIG1 P18858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37

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
SCHEMBL8545301 0.93 HDAC3 (0.44) HPGDTSHRNPSR1MAPK1ATM
SCHEMBL8545143 0.82 DAO (0.48) DAOHPGDNPSR1MAPK1PKM
SCHEMBL13296184 0.82 CES2 (0.47) DAOHPGDTSHRNPSR1L3MBTL1
SCHEMBL8590369 0.79 ALDH1A1 (0.43) HPGDTSHRNPSR1MAPK1ATM
SCHEMBL29224872 0.79 HDAC3 (0.45) DAOHPGDTSHRNPSR1MAPK1
SCHEMBL28343670 0.78 DAO (0.44) DAOHPGDTSHRNPSR1MAPK1
SCHEMBL9025953 0.77 ALDH1A1 (0.51) HPGDTSHRNPSR1MAPK1ATM
SCHEMBL5068414 0.75 HDAC3 (0.65) DAOHPGDTSHRNPSR1MAPK1
SCHEMBL8550030 0.75 ALDH1A1 (0.51) DAOTSHRHDAC3HDAC4HDAC1
SCHEMBL8545140 0.74 CA12 (0.50) HPGDNPSR1MAPK1HDAC3HDAC4

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