SCHEMBL4557327

SCHEMBL4557327

CCOCC(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
ATM Q13315 2/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KLK7 P49862 4/20 0.46
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 1/20 0.45
MME P08473 1/20 0.43
ACE P12821 1/20 0.43

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
Bromide SCHEMBL5138477 0.98 MAPT (0.51) MAPTALDH1A1GAAATMLMNA
SCHEMBL11093329 0.93 MAPT (0.49) MAPTALDH1A1GAAATMLMNA
SCHEMBL6901453 0.82 MAPT (0.61) MAPTALDH1A1GAAATMLMNA
SCHEMBL27540806 0.81 MAPT (0.53) MAPTALDH1A1GAAATMLMNA
SCHEMBL9614310 0.81 PGR (0.51) MAPTALDH1A1GAALMNATSHR
SCHEMBL8769265 0.79 MAPT (0.57) MAPTALDH1A1GAAATMLMNA
SCHEMBL8570404 0.76 MAPT (0.58) MAPTALDH1A1GAAATMLMNA
SCHEMBL6545546 0.76 ALDH1A1 (0.61) MAPTALDH1A1GAAATMLMNA
SCHEMBL1701248 0.75 MAPT (0.53) MAPTALDH1A1GAAATMLMNA
SCHEMBL10629250 0.75 ALDH1A1 (0.56) MAPTALDH1A1GAAATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096119-A1 SALTS 669 ASTRAZENECA AB (SE) 2008-08-14 WO claimed
CN-1246296-C Process for preparing 2-ethyl-N-(ethoxy methyl)-alpha-chloroacetanilide WANG ZHENGQUAN (CN) 2006-03-22 CN claimed
CN-1532183-A Process for preparing 2-ethyl-N-(ethoxy methyl)-alpha-chloroacetanilide 王正权 2004-09-29 CN claimed
EP-2124941-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST Argenta Discovery Limited (GB) 2009-12-02 EP disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
US-4296254-A N-METHYLENE ETHER-2-HALOACETAMIDES, ACID CATALYST MONSANTO COMPANY (US) 1981-10-20 US disclosed