SCHEMBL10946314

SCHEMBL10946314

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.55
▸ PSMB5 P28074 4/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CACNA1B Q00975 1/20 0.44

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
SCHEMBL10946955 0.90 REN (0.57) RENPSMB5MAPK1POLBMAPT
SCHEMBL10940198 0.89 REN (0.51) RENPSMB5MAPK1POLBMAPT
SCHEMBL10949155 0.88 PSMB5 (0.56) PSMB5TDP1
SCHEMBL10949165 0.88 PSMB5 (0.56) PSMB5TDP1
SCHEMBL10880715 0.80 REN (0.70) RENMAPK1POLBMAPTATM
SCHEMBL9069586 0.79 MME (0.55) PSMB5TDP1
SCHEMBL9069587 0.79 MME (0.55) PSMB5TDP1
SCHEMBL10841770 0.78 PSMB5 (0.56) PSMB5
SCHEMBL6933303 0.77 CAPN1 (0.65) REN
SCHEMBL10736781 0.77 PSMB5 (0.59) PSMB5TDP1

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-4560506-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-12-24 — — US disclosed
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