SCHEMBL7126199

SCHEMBL7126199

CCCCOC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
ALOX12 P18054 1/20 0.44
ACE P12821 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
FKBP4 Q02790 1/20 0.42
ELANE P08246 2/20 0.42
TACR1 P25103 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP21 Q9UK80 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
SCHEMBL1882301 0.86 MEN1 (0.49) KMT2ALMNAMEN1FKBP4ELANE
SCHEMBL7277525 0.84 TACR1 (0.43) KMT2ALMNAMEN1MAPTFKBP4
SCHEMBL8001618 0.83 LMNA (0.47) KMT2ALMNAFKBP4ELANETACR1
SCHEMBL1295583 0.82 PREP (0.54) LMNAFKBP4ELANETACR1KCNH2
SCHEMBL8010107 0.81 FKBP4 (0.46) KMT2ALMNAMEN1MAPTFKBP4
SCHEMBL5850980 0.79 FKBP4 (0.48) KMT2AMEN1FKBP4TACR1
SCHEMBL11431771 0.78 PREP (0.57) LMNAELANETACR1KCNH2KDM4E
SCHEMBL27824844 0.78 LMNA (0.48) KMT2ALMNAMEN1TACR1NPC1
SCHEMBL1296384 0.78 LMNA (0.48) KMT2ALMNAMEN1TACR1NPC1
SCHEMBL6523783 0.78 CMA1 (0.48) KMT2AMEN1ELANENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678121-B1 METHODS AND REAGENTS FOR INHIBITING FURIN ENDOPROTEASE OREGON STATE (US) 2003-06-25 EP disclosed
US-6022855-A NOVEL VARIANTS OF THE NATURALLY-OCCURRING PROTEASE INHIBITOR, ALPHA1-ANTITRYPSIN AND DERIVED PEPTIDES COMPRISING A SEQUENCE OF-ARG-XAA-XAA-ARG-; VIRICIDES; BACTERICIDES; BLOCKING OF ENDOPROTEOLYTIC ACTIVATION OF A BACTERIAL TOXIN OREGAN HEALTH SCIENCES UNIVERSITY (US) 2000-02-08 US disclosed