SCHEMBL23736109

SCHEMBL23736109

COC(=O)[C@@H]1COCCCCOC[C@H](N)C(=O)NCC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ ITGB5 P18084 1/20 0.31
▸ PSMB9 P28065 2/20 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
SCHEMBL23736271 0.93 ITGB3 (0.34) KMT2AITGB3ITGAVITGB5
SCHEMBL23736281 0.87 — —
SCHEMBL23736280 0.82 KMT2A (0.33) KMT2A
SCHEMBL15727251 0.81 CTSD (0.33) KMT2A
SCHEMBL23736270 0.76 KMT2A (0.32) KMT2A
SCHEMBL23736093 0.75 CPB2 (0.35) —
SCHEMBL23736283 0.75 KMT2A (0.31) KMT2A
SCHEMBL15727225 0.74 CTSD (0.32) KMT2A
SCHEMBL15727300 0.74 CTSD (0.32) KMT2APSMB9
SCHEMBL23736230 0.67 GAA (0.50) —

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
EP-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
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