SCHEMBL11276327

SCHEMBL11276327

COc1ccccc1OC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
ACHE P22303 4/20 0.52
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46

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
SCHEMBL2065470 0.84 SMN1; SMN2 (0.59) ATMLMNASMN1; SMN2MEN1KMT2A
SCHEMBL20088215 0.82 TOP2A (0.59) HTTALDH1A1KDM4EHPGD
SCHEMBL8366210 0.82 ATM (0.47) ATMLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7176512 0.81 ATM (0.62) CA1CA2ATMLMNASMN1; SMN2
SCHEMBL7178385 0.81 ATM (0.57) CA1CA2ACHEATMSMN1; SMN2
SCHEMBL10081124 0.81 LMNA (0.63) CA1CA2ATMLMNASMN1; SMN2
SCHEMBL11027505 0.80 ATM (0.56) CA1CA2ACHEATMLMNA
SCHEMBL7336448 0.80 ATM (0.52) ATMLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10641387 0.79 LMNA (0.61) CA1CA2ATMLMNASMN1; SMN2
SCHEMBL7420731 0.79 KMT2A (0.59) LMNASMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013261-B1 GUAIACOL ESTERS OF ALPHA- AND BETA-MERCAPTOPROPIONYLALANINE AND ALPHA- AND BETA-MERCAPTOPROPIONYLGLYCINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1982-12-01 EP disclosed
US-4299842-A TREATMENT OF RESPIRATORY SYSTEM DISORDERS, NUCOLYTIC AGENTS CAVAZZA CLAUDIO 1981-11-10 US disclosed
EP-0013261-A1 Guaiacol esters of alpha- and beta-mercaptopropionylalanine and alpha- and beta-mercaptopropionylglycine, process for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1980-07-09 EP disclosed