SCHEMBL4267758

SCHEMBL4267758

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.53
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
CA2 P00918 6/20 0.47
CA1 P00915 4/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TGFBR1 P36897 1/20 0.43
FOLH1 Q04609 1/20 0.38
CA4 P22748 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL4267759 1.00 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL5493463 1.00 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL163120 0.86 CA2 (0.52) ECE1CA2CA1TGFBR1FOLH1
SCHEMBL6240482 0.86 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL5493514 0.86 CA2 (0.52) ECE1CA2CA1TGFBR1FOLH1
SCHEMBL13084159 0.86 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL163119 0.86 CA2 (0.52) ECE1CA2CA1TGFBR1FOLH1
SCHEMBL30300609 0.86 CA2 (0.52) ECE1CA2CA1TGFBR1FOLH1
SCHEMBL1650575 0.84 CA2 (0.50) ECE1CA2CA1TGFBR1FOLH1
SCHEMBL28479156 0.84 CA2 (0.50) ECE1CA2CA1TGFBR1FOLH1

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-20090075925-A1 Methods and Compositions Related to APOBEC-1 Expression UNIVERSITY OF ROCHESTER 2009-03-19 US disclosed