SCHEMBL8638420

SCHEMBL8638420

O=C(CC[C](CCC(=O)NO)CCC(=O)NO)NO

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.63
KDM4E B2RXH2 1/20 0.63
KDM6B O15054 1/20 0.63
KDM5C P41229 1/20 0.63
EGLN1 Q9GZT9 1/20 0.63
PHF8 Q9UPP1 1/20 0.63
KDM2A Q9Y2K7 1/20 0.63
HDAC1 Q13547 5/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC5 Q9UQL6 2/20 0.58
HSP90AA1 P07900 1/20 0.46
ENO1 P06733 1/20 0.39
ECE1 P42892 1/20 0.39
ENPEP Q07075 1/20 0.38
MMP1 P03956 2/20 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
Succinodihydroxamic Acid SCHEMBL940650 0.89 FOLH1 (0.75) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL240068 0.78
Glutarodihydroxamic Acid SCHEMBL11768782 0.76 HDAC1 (0.81) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL11768749 0.76 HDAC1 (0.93) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL137189 0.75
SCHEMBL8249763 0.75
SCHEMBL27643837 0.75 FOLH1 (0.57) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4572119 0.75 HDAC2 (0.57) FOLH1KDM4EKDM6BKDM5CEGLN1
Azelaic Bis Hydroxamic Acid SCHEMBL4741072 0.73 HDAC1 (1.00) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL10439098 0.73 HDAC1 (1.00) FOLH1KDM4EKDM6BKDM5CEGLN1

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-5756825-A A CHELATING COMPOUND COMPRISES PROTEIN CONJUGATION FUNCTION AND A CHELATE FUNCTION; THE CHELATING COMPOUND IS 3-CARBOXYPROPYL N-(TRIS(2-((N-(BENZYLOXY)AMINO)CARBONYL)ETHYL )-METHYL)SUCCINAMATE UAB RESEARCH FOUNDATION 1998-05-26 US claimed
US-5756825-A A CHELATING COMPOUND COMPRISES PROTEIN CONJUGATION FUNCTION AND A CHELATE FUNCTION; THE CHELATING COMPOUND IS 3-CARBOXYPROPYL N-(TRIS(2-((N-(BENZYLOXY)AMINO)CARBONYL)ETHYL )-METHYL)SUCCINAMATE UAB RESEARCH FOUNDATION 1998-05-26 US disclosed