SCHEMBL28441375

SCHEMBL28441375

COC(=O)C(CC1=CCCN(C)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ CACNA1B Q00975 3/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL20622191 1.00 KLK5 (0.41) KLK5LMNACHRM2CHRM4CHRM5
SCHEMBL21875826 0.89 ACE (0.45) ACEAKT1CTSSCTSLCTSB
SCHEMBL21875824 0.89 ACE (0.45) ACEAKT1CTSSCTSLCTSB
SCHEMBL16119293 0.81 KLK5 (0.44) KLK5NFKB1NFKB2RELAACE
SCHEMBL6908318 0.81 KLK5 (0.44) KLK5NFKB1NFKB2RELAACE
SCHEMBL16228157 0.81 KLK5 (0.44) KLK5NFKB1NFKB2RELAACE
SCHEMBL8909470 0.80 ALDH1A1 (0.46) KLK5NFKB1NFKB2RELACACNA1B
SCHEMBL6907174 0.77 KLK5 (0.45) KLK5NFKB1NFKB2RELAACE
SCHEMBL16228121 0.77 KLK5 (0.45) KLK5NFKB1NFKB2RELAACE
SCHEMBL12091407 0.76 KLK5 (0.43) KLK5NFKB1NFKB2RELAACE

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
CN-109134533-B Phosphorus-containing compound and preparation and application thereof 维眸生物科技(上海)有限公司 2020-08-11 — — CN disclosed
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