SCHEMBL28345993

SCHEMBL28345993

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.53
TAS1R3 Q7RTX0 6/20 0.43
TAS1R1 Q7RTX1 6/20 0.43
LONP1 P36776 4/20 0.42
BIRC2 Q13490 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 1/20 0.40
PSMB4 P28070 1/20 0.40
PSMB6 P28072 1/20 0.40
PSMB10 P40306 1/20 0.40

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
SCHEMBL28345997 1.00 PSMB5 (0.53) PSMB5TAS1R3TAS1R1LONP1BIRC2
SCHEMBL28345793 0.88 PSMB5 (0.69) PSMB5LONP1BIRC2PSMB11PSMA7
SCHEMBL28345790 0.88 PSMB5 (0.69) PSMB5LONP1BIRC2PSMB11PSMA7
SCHEMBL2127010 0.81 PSMB5 (0.64) PSMB5TAS1R3TAS1R1LONP1MEN1
SCHEMBL28861689 0.79 PSMB5 (0.51) PSMB5LONP1KMT2APSMB11PSMA7
SCHEMBL2127712 0.78 PSMB5 (0.63) PSMB5TAS1R3TAS1R1LONP1MEN1
SCHEMBL1913564 0.74 PSMB5 (0.72) PSMB5LONP1PSMB11PSMA7PSMB1
SCHEMBL2128457 0.74 PSMB5 (0.72) PSMB5LONP1PSMB11PSMA7PSMB1
SCHEMBL28349240 0.73 PSMB5 (0.60) PSMB5LONP1MEN1KMT2APSMB11
SCHEMBL28349239 0.73 PSMB5 (0.60) PSMB5LONP1MEN1KMT2APSMB11

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
CN-108929340-B Proline boric acid compound and preparation method and application thereof 北京大学 2019-12-13 CN disclosed