SCHEMBL7323581

SCHEMBL7323581

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.55
CTSD P07339 8/20 0.54
KLK5 Q9Y337 1/20 0.51
CTSB P07858 3/20 0.49
CTSK P43235 3/20 0.49
REN P00797 3/20 0.48
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
ECE1 P42892 2/20 0.46
MME P08473 1/20 0.46

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
SCHEMBL7328692 0.83 CTSD (0.54) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL10376838 0.83 CTSD (0.54) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7807953 0.83 CTSD (0.63) TRPM8CTSDCTSBCTSKREN
SCHEMBL7807985 0.83 CTSD (0.56) TRPM8CTSDCTSBCTSKREN
SCHEMBL7329749 0.82 CTSD (0.54) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7322916 0.82 CTSD (0.54) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL8945246 0.81 CTSD (0.53) CTSDREN
SCHEMBL9095899 0.81 CTSD (0.53) CTSDREN
SCHEMBL3210676 0.81 CTSB (0.60) TRPM8CTSDCTSBCTSKECE1
SCHEMBL13823620 0.81 CTSB (0.60) TRPM8CTSDCTSBCTSKECE1

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