SCHEMBL9016579

SCHEMBL9016579

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(N)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.62
PSEN1 P49768 3/20 0.62
PSEN2 P49810 3/20 0.62
APH1B Q8WW43 3/20 0.62
NCSTN Q92542 3/20 0.62
APH1A Q96BI3 3/20 0.62
PSENEN Q9NZ42 3/20 0.62
APP P05067 1/20 0.62
ATM Q13315 1/20 0.53
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
REN P00797 4/20 0.51
BACE1 P56817 2/20 0.49
ACE P12821 1/20 0.49

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
SCHEMBL7789578 1.00 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7799008 1.00 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5371202 1.00 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7797841 1.00 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9016587 1.00 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
Oxalic Acid SCHEMBL7796361 0.98 KLK5 (0.60) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7392856 0.92 KLK5 (0.67) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL1601944 0.90 CTSS (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL720790 0.89 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7305946 0.88 ATM (0.62) KLK5PSEN1PSEN2APH1BNCSTN

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
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed