SCHEMBL9026265

SCHEMBL9026265

Cc1cccc(OC(=O)C2CCC(C(=O)Oc3cccc(C)c3)S2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
PPARG P37231 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BCHE P06276 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
ALOX5 P09917 1/20 0.43
ACHE P22303 1/20 0.42
SLC6A3 Q01959 1/20 0.41
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 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
SCHEMBL9026272 0.94 KMT2A (0.56) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL4544899 0.82 LMNA (0.61) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL27947134 0.82 LMNA (0.61) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL9025302 0.81 ELANE (0.50) KMT2AALDH1A1SMN1; SMN2POLBSLC6A3
SCHEMBL9025308 0.77 ALDH1A1 (0.47) KMT2AALDH1A1SMN1; SMN2POLBSLC6A3
SCHEMBL12266961 0.76 MEN1 (0.52) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL30878614 0.75 LMNA (0.51) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL29418226 0.74 LMNA (0.74) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL7922562 0.74 LMNA (0.74) LMNAKMT2AALDH1A1MEN1PPARG
SCHEMBL819332 0.74 LMNA (0.74) LMNAKMT2AALDH1A1MEN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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