SCHEMBL11044343

SCHEMBL11044343

CCC(O)(NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
ACP1 P24666 1/20 0.38
CTSS P25774 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL11320576 0.87 MEN1 (0.50) MEN1KMT2ACCNE1CDK2GSK3B
SCHEMBL11563416 0.87 MEN1 (0.50) MEN1KMT2ACCNE1CDK2GSK3B
SCHEMBL10617309 0.86 MEN1 (0.48) MEN1KMT2ACCNE1CDK2GSK3B
SCHEMBL8909308 0.81 MEN1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19730317 0.80 MEN1 (0.46) MEN1KMT2ACCNE1CDK2GSK3B
SCHEMBL1412214 0.77 TPSAB1 (0.50) CCNE1CDK2GSK3BCASP1SMN1; SMN2
SCHEMBL11042794 0.75 CCNE1 (0.41) MEN1KMT2ACCNE1CDK2GSK3B
SCHEMBL356447 0.75 CTSK (0.53) RAB9ACASP1ALDH1A1CTSS
SCHEMBL14366653 0.75 CTSK (0.50) MEN1KMT2ARAB9ACASP1LMNA
SCHEMBL4432276 0.75 CTSK (0.50) MEN1KMT2ARAB9ACASP1LMNA

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-4424343-A Preparation of 1-N- ω-amino-α-hydroxyalkanoyl!kanamycin polysilylates and products BRISTOL MYERS COMPANY (US) 1984-01-03 US disclosed
US-4283528-A 1-N-aminohydroxyacyl derivatives of gentamicin B SCHERING CORPORATION (US) 1981-08-11 US disclosed