SCHEMBL8934928

SCHEMBL8934928

O=C(O)CC[C@H](NN1CCNCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.46
NAALAD2 Q9Y3Q0 5/20 0.46
RIMKLA Q8IXN7 1/20 0.46
GGH Q92820 2/20 0.40
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 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
SCHEMBL8934926 1.00 FOLH1 (0.46) FOLH1NAALAD2RIMKLAGGHCYP1A2
SCHEMBL34475333 0.98 FOLH1 (0.44) FOLH1NAALAD2RIMKLAGGHCYP1A2
SCHEMBL8934927 0.87 KMT2A (0.40) FOLH1NAALAD2RIMKLAMMP9
SCHEMBL8934904 0.87 KMT2A (0.40) FOLH1NAALAD2RIMKLAMMP9
SCHEMBL11143392 0.84 FOLH1 (0.50) FOLH1NAALAD2RIMKLAGGHCYP1A2
SCHEMBL30118318 0.81 TGFBR1 (0.36)
SCHEMBL10378031 0.73 ITGB3 (0.34)
SCHEMBL4529797 0.73 POLB (0.49) NAALAD2MMP9
SCHEMBL5282039 0.72 CA2 (0.40) FOLH1NAALAD2RIMKLAGAASMN1; SMN2
SCHEMBL5282044 0.72 CA2 (0.40) FOLH1NAALAD2RIMKLAGAASMN1; SMN2

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
WO-1996029088-A1 NOVEL PIPERAZINE DERIVATIVES AS TYPE IL-1 RECEPTOR ANTAGONISTS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-09-26 WO disclosed