SCHEMBL7325758

SCHEMBL7325758

COC(=O)[C@H]1CCC[C@@H]1C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.46
REN P00797 2/20 0.46
RAB9A P51151 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 2/20 0.44
ACE P12821 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL10377216 1.00 KLK5 (0.58) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7360172 1.00 KLK5 (0.58) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7359025 0.93 KLK5 (0.55) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7357804 0.93 KLK5 (0.55) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7326978 0.91 KLK5 (0.55) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7362805 0.91 KLK5 (0.55) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7359926 0.85 KLK5 (0.50) KLK5L3MBTL1ATMRENRAB9A
SCHEMBL7365010 0.85 KLK5 (0.48) KLK5L3MBTL1RENPSEN1PSEN2
SCHEMBL7330949 0.83 KLK5 (0.58) KLK5ATMRENPSEN1PSEN2
SCHEMBL7322611 0.83 KLK5 (0.58) KLK5ATMRENPSEN1PSEN2

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed