SCHEMBL23221683

SCHEMBL23221683

CCCC(=O)NC(Cc1ccccc1)C(=O)NCB(O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.64
▸ CHRNB2 P17787 1/20 0.60
▸ CHRNB4 P30926 1/20 0.60
▸ CHRNA3 P32297 1/20 0.60
▸ CHRNA4 P43681 1/20 0.60
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CHRND Q07001 6/20 0.51
▸ CHRNA1 P02708 2/20 0.51
▸ CHRNG P07510 2/20 0.51
▸ CHRNB1 P11230 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL988507 0.87 CHRNB2 (0.65) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL988137 0.85 CHRNB2 (0.71) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL985563 0.84 CHRNB2 (0.77) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL23221700 0.84 PSMB5 (0.65) PSMB5CTSLCTSBCTSS
SCHEMBL989841 0.82 PSMB5 (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15759462 0.82 PSMB5 (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL987191 0.82 PSMB5 (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23716763 0.82 CHRNB2 (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL988166 0.82 CHRNB2 (0.77) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL15692406 0.81 PSMB5 (0.66) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4

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-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 — — EP disclosed
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