SCHEMBL6376358

SCHEMBL6376358

CC(Cl)(Cl)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.43
FOLH1 Q04609 6/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.42
RIMKLA Q8IXN7 1/20 0.42
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL3142495 0.79 KMT2A (0.47) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL3142506 0.79 KMT2A (0.47) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL6026388 0.77 ALOX15 (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL6445997 0.77 ALOX15 (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL287578 0.77 ALOX15 (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL287577 0.77 ALOX15 (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL1719073 0.76 KMT2A (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL5493511 0.76 KMT2A (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL7043592 0.76 KMT2A (0.53) KMT2ACA2CA1FOLH1NAALAD2
SCHEMBL5493512 0.76 KMT2A (0.53) KMT2ACA2CA1FOLH1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050233977-A1 Process of producing ala-gln dipeptide ZHAO YUFEN 2005-10-20 US disclosed