SCHEMBL8088959

SCHEMBL8088959

COC(=O)CCS(=O)(=O)NCCOCCc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 7/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8096816 0.89 ALDH1A1 (0.45) ALDH1A1CA12CA7CA9CA14
SCHEMBL8088373 0.89 CA12 (0.52) ALDH1A1CA12CA7CA9CA14
SCHEMBL8129039 0.89 CA12 (0.56) ALDH1A1CA12CA7CA9CA14
SCHEMBL8103411 0.81 CA12 (0.41) ALDH1A1CA12CA7CA9CA14
SCHEMBL8097774 0.80 HPGD (0.38) ALDH1A1CA12CA7CA9CA14
SCHEMBL8101293 0.76 L3MBTL1 (0.49) ALDH1A1CA12CA7CA9CA14
SCHEMBL8097211 0.74 CA12 (0.42) ALDH1A1CA12CA7CA9CA14
SCHEMBL5187860 0.74 CA12 (0.53) ALDH1A1CA12CA7CA9CA14
SCHEMBL2569441 0.73 L3MBTL1 (0.55) ALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL27373395 0.72 HDAC3 (0.47) ALDH1A1CA12CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP disclosed
US-6008365-A ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRA PHARMACEUTICALS LTD. (GB) 1999-12-28 US disclosed
US-5977384-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-11-02 US disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed
EP-0850232-A1 BENZOTHIAZOLONE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1998-07-01 EP disclosed
WO-1997010227-A1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMACEUTICALS LIMITED (GB) 1997-03-20 WO disclosed