SCHEMBL7109940

SCHEMBL7109940

COC(=O)c1cc(C(O)CN(C)C)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
F7 P08709 1/20 0.47
EGFR P00533 2/20 0.45
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPN6 P29350 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
APP P05067 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
FOLH1 Q04609 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9574279 0.90 FOLH1 (0.54) EGFRFOLH1KDM4EALDH1A1POLB
SCHEMBL965193 0.86 F2 (0.49) F2F7PTPN2PTPN1PTPN6
SCHEMBL965192 0.86 F2 (0.49) F2F7PTPN2PTPN1PTPN6
SCHEMBL5272827 0.85 PTPN2 (0.44) F2F7PTPN2PTPN1PTPN6
Iodide SCHEMBL9574103 0.83 F2 (0.47) F2F7PTPN2PTPN1PTPN6
Iodide SCHEMBL9574099 0.83 F2 (0.47) F2F7PTPN2PTPN1PTPN6
SCHEMBL14080487 0.82 ADRB2 (0.48) F2F7LMNAHPGDADRB2
SCHEMBL4670569 0.82 ADRB2 (0.48) F2F7LMNAHPGDADRB2
SCHEMBL14080472 0.82 ADRB2 (0.48) F2F7LMNAHPGDADRB2
SCHEMBL5552677 0.82 F2 (0.51) F2F7PTPN2PTPN1PTPN6

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
EP-1349828-A1 PROCESS FOR PREPARING ISOMERS OF SALBUTAMOL Cipla Limited (IN) 2003-10-08 EP claimed
WO-2002048090-A1 PROCESS FOR PREPARING ISOMERS OF SALBUTAMOL CIPLA LIMITED (IN) 2002-06-20 WO claimed
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed