SCHEMBL8545140

SCHEMBL8545140

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA7 P43166 6/20 0.50
CA9 Q16790 6/20 0.50
CA14 Q9ULX7 6/20 0.50
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL8545143 0.92 DAO (0.48) CA12CA1CA2CA7CA9
SCHEMBL13747016 0.88 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14551730 0.85 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL15486125 0.82 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL1310602 0.82 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL11460500 0.80 MITF (0.55) ALDH1A1LMNAMEN1KMT2A
SCHEMBL2160110 0.80 CYP4F2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL8545301 0.79 HDAC3 (0.44) ALDH1A1HPGDMAPK1HSD17B10LMNA
SCHEMBL344335 0.79 HPGD (0.40) CA12CA1CA2CA7CA9
SCHEMBL2160001 0.79 CYP4F2 (0.40) CA12CA1CA2CA7CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730589-B1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT MERCK PHARMA (US) 1998-07-08 EP claimed
EP-0719774-B1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS (JP) 1998-06-03 EP disclosed
EP-0387725-B1 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS (JP) 1997-01-22 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