SCHEMBL8550030

SCHEMBL8550030

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
DAO P14920 5/20 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
CACNA1F O60840 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
LIG1 P18858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8550024 0.93 ALDH1A1 (0.58) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL28343702 0.85 MAPT (0.45) ALDH1A1TSHRDAOHDAC3HDAC4
SCHEMBL29224872 0.83 HDAC3 (0.45) ALDH1A1TSHRDAOHDAC3HDAC4
SCHEMBL8549207 0.83 PKM (0.46) ALDH1A1DAOHDAC3HDAC4HDAC1
SCHEMBL16753170 0.82 GSK3B (0.49) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL5068414 0.80 HDAC3 (0.65) ALDH1A1TSHRDAOHDAC3HDAC4
SCHEMBL8549910 0.77 LMNA (0.53) ALDH1A1TSHRDAOHDAC3HDAC4
SCHEMBL27537636 0.77 DAO (0.44) ALDH1A1TSHRDAOHDAC3HDAC4
SCHEMBL8545143 0.77 DAO (0.48) ALDH1A1DAOPKMLIG1LMNA
SCHEMBL29224870 0.76 ALDH1A1 (0.60) ALDH1A1TSHRDAOHDAC3HDAC4

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