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SCHEMBL7377285

SCHEMBL7377285

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.56
▸ CTSD P07339 6/20 0.51
▸ ELANE P08246 1/20 0.50
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ BACE1 P56817 1/20 0.48
▸ CA2 P00918 1/20 0.45

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
SCHEMBL7377290 1.00 REN (0.56) RENCTSDELANECTSBCTSS
SCHEMBL7351566 0.99 REN (0.57) RENCTSDELANECTSBCTSS
SCHEMBL7351550 0.99 REN (0.57) RENCTSDELANECTSBCTSS
SCHEMBL7345250 0.89 CTSB (0.54) RENCTSBCTSSCTSK
SCHEMBL9439832 0.89 CTSB (0.54) RENCTSBCTSSCTSK
SCHEMBL9439828 0.89 CTSB (0.54) RENCTSBCTSSCTSK
SCHEMBL9439843 0.89 CTSB (0.54) RENCTSBCTSSCTSK
SCHEMBL7358144 0.83 REN (0.54) RENCTSDELANEBACE1
SCHEMBL7358156 0.83 REN (0.61) RENCTSDELANE
SCHEMBL9294998 0.81 REN (0.54) RENCTSDELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338726-A Hypotensive agents, antiulcer agents ABBOTT LABORATORIES (US) 1994-08-16 — — US disclosed
WO-1992013545-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1992-08-20 — — WO disclosed