SCHEMBL8858162

SCHEMBL8858162

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCN3CCN(C)CC3)C(=O)O2)CC1.CN1CCN(CCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7309955 0.92 ITGB3 (0.37) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858181 0.91 L3MBTL1 (0.34) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858111 0.90 LMNA (0.41) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8858107 0.88 KDM4E (0.33) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858063 0.86 ITGB3 (0.34) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858116 0.86 KDM4E (0.35) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858095 0.86 MEN1 (0.37) KDM4EMEN1KMT2AITGB3ITGA2B
SCHEMBL8858191 0.85 MEN1 (0.42) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8858178 0.85 MEN1 (0.41) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8858082 0.84 KDM4E (0.34) KDM4EMEN1KMT2ASMN1; 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
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed