SCHEMBL7303335

SCHEMBL7303335

CC(C)(C)OC(=O)C(O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.49
METAP1 P53582 7/20 0.49
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
REN P00797 1/20 0.40

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
SCHEMBL10520251 0.87 REN (0.41) METAP2METAP1CTSSCTSKREN
SCHEMBL7328407 0.84 METAP2 (0.55) METAP2METAP1REN
SCHEMBL8175196 0.84 METAP2 (0.55) METAP2METAP1REN
SCHEMBL20244849 0.84 CTSK (0.45) METAP2CTSSCTSK
SCHEMBL22090642 0.84 CTSK (0.45) METAP2CTSSCTSK
Hydrochloric Acid SCHEMBL9514516 0.83 METAP2 (0.53) METAP2METAP1REN
Hydrochloric Acid SCHEMBL9514519 0.83 METAP2 (0.53) METAP2METAP1REN
SCHEMBL7359911 0.82 METAP2 (0.57) METAP2METAP1CTSSCTSKREN
SCHEMBL7301464 0.82 METAP2 (0.40) METAP2METAP1CTSSCTSKREN
SCHEMBL28764792 0.82 CTSK (0.43) METAP2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190922-A Antiinflammatory ABBOTT LABORATORIES (US) 1993-03-02 US disclosed
WO-1992021361-A1 TERMINALLY MODIFIED TRI-, TETRA- AND PENTAPEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1992-12-10 WO disclosed
US-5122610-A Renin inhibitor intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-06-16 US disclosed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP disclosed