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SCHEMBL11020489

SCHEMBL11020489

CC(C)[C@@](C[C@H](O)[C@@H](N)CC1CCCCC1)(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.43
▸ METAP2 P50579 3/20 0.42
▸ METAP1 P53582 3/20 0.42
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ HTRA1 Q92743 1/20 0.37

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
SCHEMBL10521193 0.76 CTSL (0.49) RENMETAP2METAP1CTSLCTSB
SCHEMBL9770958 0.75 REN (0.43) RENMETAP2METAP1CTSLCTSB
SCHEMBL7207431 0.73 CTSL (0.40) CTSLCTSBCTSSCTSK
SCHEMBL10521376 0.72 METAP2 (0.52) RENMETAP2METAP1CTSLCTSB
SCHEMBL10521370 0.72 METAP2 (0.52) RENMETAP2METAP1CTSLCTSB
SCHEMBL9770911 0.72 METAP2 (0.52) RENMETAP2METAP1CTSLCTSB
Hydrochloric Acid SCHEMBL10775299 0.72 METAP2 (0.44) RENMETAP2METAP1CTSLCTSB
Hydrochloric Acid SCHEMBL10775294 0.72 METAP2 (0.44) RENMETAP2METAP1CTSLCTSB
SCHEMBL9770915 0.72 METAP2 (0.53) METAP2METAP1CTSLCTSBCTSS
SCHEMBL7294534 0.72 CTSL (0.47) RENMETAP2METAP1CTSLCTSB

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
EP-0156322-A2 Renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 — — EP disclosed