SCHEMBL9069213

SCHEMBL9069213

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1S)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.57
▸ MME P08473 3/20 0.57
▸ MMP9 P14780 1/20 0.55
▸ EED O75530 1/20 0.52
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9069215 1.00 PSMB5 (0.57) PSMB5MMEMMP9EEDACE
SCHEMBL10944288 0.98 MMP9 (0.57) PSMB5MMEMMP9EEDACE
SCHEMBL10736781 0.89 PSMB5 (0.59) PSMB5MMEEEDLMNATDP1
SCHEMBL10737452 0.89 PSMB5 (0.59) PSMB5MMEEEDLMNATDP1
SCHEMBL9068940 0.89 PSMB5 (0.59) PSMB5MMEEEDLMNATDP1
SCHEMBL9068941 0.89 PSMB5 (0.59) PSMB5MMEEEDLMNATDP1
SCHEMBL9069586 0.88 MME (0.55) PSMB5MMEMMP9EEDACE
SCHEMBL9069587 0.88 MME (0.55) PSMB5MMEMMP9EEDACE
SCHEMBL10949155 0.87 PSMB5 (0.56) PSMB5MMEEEDLMNATDP1
SCHEMBL10949165 0.87 PSMB5 (0.56) PSMB5MMEEEDLMNATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560506-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-12-24 — — US claimed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 — — US disclosed
US-4560506-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-12-24 — — US disclosed
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