SCHEMBL8969763

SCHEMBL8969763

NN=Cc1ccc(N2CCCN(CC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.41
ITGA2B P08514 5/20 0.41
F2 P00734 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ITGAV P06756 1/20 0.33
TSHR P16473 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
HDAC1 Q13547 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7397288 0.81 ITGB3 (0.53) ITGB3ITGA2BF2
SCHEMBL7416753 0.78 ITGB3 (0.34) ITGB3ITGA2BF2SMN1; SMN2TDP1
SCHEMBL7419658 0.76 ITGB3 (0.36) ITGB3ITGA2BALDH1A1ITGAV
SCHEMBL7405707 0.74 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7413115 0.71 ITGB3 (0.55) ITGB3ITGA2BHDAC1
SCHEMBL7401425 0.71 ITGB3 (0.58) ITGB3ITGA2BF2TSHRKMT2A
Trifluoroacetic Acid SCHEMBL8539839 0.70 ITGB3 (0.50) ITGB3ITGA2B
Acetic Acid SCHEMBL7418347 0.69 ITGB3 (0.54) ITGB3ITGA2BHDAC1
SCHEMBL7395840 0.69 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7347503 0.68 ITGB3 (0.60) ITGB3ITGA2BALDH1A1MAPTHDAC1

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-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US claimed