SCHEMBL5419035

SCHEMBL5419035

CC(=O)N[C@@H](CS)C(=O)ON.[Zn]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.37
ACE P12821 1/20 0.35
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TACR1 P25103 1/20 0.31
GNPAT O15228 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL9388226 0.98 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28017824 0.96 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28017821 0.96 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28018390 0.96 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5599294 0.82 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999598 0.82 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14088106 0.82 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999610 0.82 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112331 0.82 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2298043 0.82 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1

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
US-20070093894-A1 Incorporation of antimicrobial combinations onto devices to reduce infection BAYLOR COLLEGE OF MEDICINE (US) 2007-04-26 US disclosed
US-6475434-B1 Composition and methods for preventing and removing biofilm embedded microorganisms from the surface of medical devices BAYLOR COLLEGE OF MEDICINE 2002-11-05 US disclosed