SCHEMBL9818534

SCHEMBL9818534

COc1ccc(C[C@H](NC(=O)N2C[C@@H](O)[C@@H](O)C2)C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.45
▸ PSMB8 P28062 11/20 0.41
▸ PSMB5 P28074 11/20 0.41
▸ PSMB9 P28065 3/20 0.40
▸ PSMA1 P25786 2/20 0.40
▸ PSMB4 P28070 2/20 0.40
▸ PSMB10 P40306 2/20 0.40
▸ MMP1 P03956 4/20 0.39
▸ PSMB11 A5LHX3 1/20 0.38
▸ PSMA7 O14818 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMA2 P25787 1/20 0.38
▸ PSMA3 P25788 1/20 0.38
▸ PSMA4 P25789 1/20 0.38
▸ PSMA5 P28066 1/20 0.38
▸ PSMB6 P28072 1/20 0.38
▸ PSMB3 P49720 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ PSMA6 P60900 1/20 0.38
▸ PSMA8 Q8TAA3 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
SCHEMBL7431573 0.89 KMT2A (0.43) —
SCHEMBL10408619 0.85 MMP1 (0.46) MMP1
SCHEMBL9832615 0.80 OPRM1 (0.40) MMP1
SCHEMBL9417215 0.79 ITGB3 (0.49) —
SCHEMBL9833056 0.77 REN (0.45) RENMMP1
SCHEMBL9417286 0.76 QRFPR (0.46) REN
SCHEMBL7441871 0.76 CTSS (0.53) PSMB8PSMB5PSMB9PSMA1PSMB4
SCHEMBL9417266 0.76 CTSS (0.53) PSMB8PSMB5PSMB9PSMA1PSMB4
SCHEMBL7295919 0.75 KMT2A (0.57) —
SCHEMBL7300089 0.75 GAA (0.55) —

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-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 — — US disclosed
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