SCHEMBL10634879

SCHEMBL10634879

COC(=O)C[C@H](NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.58
TRPM8 Q7Z2W7 1/20 0.56
SYK P43405 1/20 0.55
ATM Q13315 1/20 0.49
REN P00797 5/20 0.48
CTRB1 P17538 2/20 0.48
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL10630616 1.00 KLK5 (0.58) KLK5TRPM8SYKATMREN
SCHEMBL10350971 0.91 KLK5 (0.57) KLK5TRPM8SYKATMCTRB1
SCHEMBL10634825 0.89 REN (0.54) KLK5SYKRENCTSK
SCHEMBL10630534 0.89 REN (0.54) KLK5SYKRENCTSK
SCHEMBL10628675 0.89 SYK (0.55) KLK5TRPM8SYKATMREN
SCHEMBL10628809 0.89 SYK (0.55) KLK5TRPM8SYKATMREN
SCHEMBL6931617 0.86 KLK5 (0.59) KLK5TRPM8SYKATMCTRB1
SCHEMBL27805989 0.86 SYK (0.52) KLK5TRPM8SYKATMREN
SCHEMBL27805991 0.86 SYK (0.52) KLK5TRPM8SYKATMREN
SCHEMBL9833378 0.83 KLK5 (0.72) KLK5RENPSEN1PSEN2APH1B

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-4755592-A Statine-containing peptides useful in medicaments MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 US disclosed
US-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 US disclosed