SCHEMBL22433332

SCHEMBL22433332

CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)C1CO1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 8/20 0.54
▸ KLK5 Q9Y337 7/20 0.54
▸ CTSL P07711 1/20 0.53
▸ SYK P43405 1/20 0.51
▸ PPARA Q07869 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CTSS P25774 1/20 0.46
▸ ATM Q13315 2/20 0.46
▸ PPARG P37231 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
SCHEMBL22433331 1.00 KLK7 (0.54) KLK7KLK5CTSLSYKPPARA
SCHEMBL22687090 0.88 CTSL (0.57) KLK7KLK5CTSLSYKPPARA
SCHEMBL22687091 0.88 CTSL (0.57) KLK7KLK5CTSLSYKPPARA
SCHEMBL8234039 0.85 CTSL (0.59) KLK7KLK5CTSLSYKPPARA
SCHEMBL30337362 0.83 ATM (0.51) ATM
SCHEMBL26045089 0.83 ATM (0.51) ATM
SCHEMBL30613282 0.83 ATM (0.51) ATM
SCHEMBL26045030 0.83 ATM (0.51) ATM
SCHEMBL124116 0.80 PPARG (0.42) KLK7KLK5CTSLPPARACTSS
SCHEMBL13537921 0.80 KLK7 (0.59) KLK7KLK5CTSLSYKPPARA

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
WO-2020185999-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-09-17 — — WO disclosed
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