SCHEMBL5489563

SCHEMBL5489563

CN(C)CC(=C=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PARP1 P09874 1/20 0.43
PKM P14618 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TP53 P04637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KDM4E B2RXH2 2/20 0.38
TMEM97 Q5BJF2 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
SCHEMBL5200753 0.81 PARP1 (0.43) ALDH1A1POLBMAPTPARP1TP53
SCHEMBL5777797 0.81 PBRM1 (0.42) ALDH1A1GAAPOLBKDM4E
SCHEMBL3411071 0.80 BCL2L1 (0.42) HPGDALDH1A1GAAPOLBMAPT
SCHEMBL5776042 0.79 NOS1 (0.42) ALDH1A1
SCHEMBL289811 0.79 EGFR (0.50) HPGDALDH1A1MAPTHTTMAOA
SCHEMBL26921657 0.78 ERCC5 (0.56) HPGDALDH1A1GAAPOLBMAPT
SCHEMBL29839155 0.78 ERCC5 (0.56) HPGDALDH1A1GAAPOLBMAPT
SCHEMBL5771539 0.77 CES2 (0.50) ALDH1A1POLBTP53
SCHEMBL1651006 0.76 HCAR2 (0.46) ALDH1A1PKMKDM4E
SCHEMBL5779568 0.76 BCHE (0.43)

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-20070009445-A1 Aerosol compositions and methods XEMPLAR PHARMACEUTICALS, LLC (US) 2007-01-11 US disclosed
EP-0731688-B1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS ABBOTT LAB (US) 2003-03-05 EP disclosed
EP-0777467-B1 AEROSOL DRUG FORMULATIONS CONTAINING POLYGLYCOLYZED GLYCERIDES ABBOTT LAB (US) 2002-11-06 EP disclosed
US-6193954-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF DRUG DOPAMINE AGONIST, A PROPELLANT AND POLOXAME TO PATIENT ABBOTT LABORATORIES 2001-02-27 US disclosed
EP-0804157-A1 AEROSOL DRUG FORMULATIONS CONTAINING VITAMIN E Abbott Laboratories (US) 1997-11-05 EP disclosed
EP-0777467-A1 AEROSOL DRUG FORMULATIONS CONTAINING POLYGLYCOLYZED GLYCERIDES Abbott Laboratories (US) 1997-06-11 EP disclosed
WO-1996006598-A1 AEROSOL DRUG FORMULATIONS CONTAINING POLYGLYCOLYZED GLYCERIDES ABBOTT LABORATORIES (US) 1996-03-07 WO disclosed
WO-1995024892-A1 AEROSOL DRUG FORMULATIONS CONTAINING VITAMIN E ABBOTT LABORATORIES (US) 1995-09-21 WO disclosed