SCHEMBL9068746

SCHEMBL9068746

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.53
▸ CAPN1 P07384 2/20 0.52
▸ MME P08473 3/20 0.50
▸ EED O75530 1/20 0.49
▸ ECE1 P42892 1/20 0.49

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
SCHEMBL9068745 1.00 PSMB5 (0.53) PSMB5CAPN1MMEEEDECE1
SCHEMBL10841770 0.94 PSMB5 (0.56) PSMB5CAPN1
SCHEMBL10736781 0.88 PSMB5 (0.59) PSMB5MMEEED
SCHEMBL9068941 0.88 PSMB5 (0.59) PSMB5MMEEED
SCHEMBL10737452 0.88 PSMB5 (0.59) PSMB5MMEEED
SCHEMBL9068940 0.88 PSMB5 (0.59) PSMB5MMEEED
SCHEMBL9069215 0.84 PSMB5 (0.57) PSMB5MMEEED
SCHEMBL9069213 0.84 PSMB5 (0.57) PSMB5MMEEED
SCHEMBL10949155 0.83 PSMB5 (0.56) PSMB5MMEEED
SCHEMBL10949165 0.83 PSMB5 (0.56) PSMB5MMEEED

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 — — US disclosed
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