SCHEMBL8088574

SCHEMBL8088574

Cc1ccccc1CCOCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.43
CTBP2 P56545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NR3C2 P08235 1/20 0.41
ALOX5 P09917 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL16542344 0.90 TAAR1 (0.44) TAAR1SIRT2CTBP2KDM4ENR3C2
SCHEMBL16542314 0.85 TAAR1 (0.44) TAAR1SIRT2CTBP2KDM4EALOX5
SCHEMBL4398478 0.85 KDM4E (0.46) TAAR1CTBP2KDM4EALOX5HCAR2
SCHEMBL6928724 0.83 MAOB (0.47) TAAR1SIRT2CTBP2KDM4EMAOB
SCHEMBL9181973 0.80 TAAR1 (0.58) TAAR1SIRT2KDM4EALOX5HCAR2
SCHEMBL16244375 0.79 LMNA (0.50) TAAR1SIRT2CTBP2KDM4ENR3C2
SCHEMBL3053811 0.77 TAAR1 (0.55) TAAR1CTBP2KDM4ENR3C2HPGD
SCHEMBL30341383 0.77 TAAR1 (0.55) TAAR1CTBP2KDM4ENR3C2HPGD
SCHEMBL13886131 0.75 PTGER1 (0.43) TAAR1CTBP2KDM4EHPGDALDH1A1
SCHEMBL8573889 0.75 TAAR1 (0.53) TAAR1CTBP2KDM4ENR3C2HPGD

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
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
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 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