SCHEMBL8097774

SCHEMBL8097774

COC(=O)CCS(=O)(=O)NCCOCCc1ccc(C)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.37
CA12 O43570 5/20 0.36
CA14 Q9ULX7 5/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TXNRD1 Q16881 1/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA2 P00918 1/20 0.32
CA1 P00915 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL8088959 0.80 ALDH1A1 (0.46) CA12CA14CA7CA9L3MBTL1
SCHEMBL8129039 0.78 CA12 (0.56) HPGDCA12CA14CA7CA9
SCHEMBL8103411 0.78 CA12 (0.41) HPGDCA12CA14CA7CA9
SCHEMBL8088373 0.76 CA12 (0.52) HPGDCA12CA14CA7CA9
SCHEMBL8096816 0.76 ALDH1A1 (0.45) CA12CA14CA7CA9ALDH1A1
SCHEMBL9372873 0.75 RPS6KB2 (0.52) HPGDRPS6KB2NPC1RAB9ASMN1; SMN2
SCHEMBL14049763 0.72 MMP8 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1MMP8
SCHEMBL8097211 0.71 CA12 (0.42) HPGDCA12CA14CA7CA9
SCHEMBL8097361 0.68 CA12 (0.50) HPGDCA12CA14CA7CA9
SCHEMBL8101407 0.67 NPC1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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
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