SCHEMBL8550024

SCHEMBL8550024

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL8550030 0.93 ALDH1A1 (0.51) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL16753170 0.88 GSK3B (0.49) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL29224871 0.81 HDAC3 (0.50) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL8549058 0.81 PKM (0.50) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL23598457 0.78 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL23598326 0.77 ALDH1A1 (0.40) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL110051 0.77 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPC1HTT
SCHEMBL7018973 0.77 HDAC3 (0.73) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL8549207 0.75 PKM (0.46) ALDH1A1HDAC3HDAC4HDAC1HDAC6
SCHEMBL29224872 0.75 HDAC3 (0.45) ALDH1A1TSHRHDAC3HDAC4HDAC1

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