SCHEMBL22305235

SCHEMBL22305235

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
KLK5 Q9Y337 3/20 0.53
APP P05067 5/20 0.51
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
ACE P12821 1/20 0.48
SYK P43405 1/20 0.46
CYP3A4 P08684 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
SCHEMBL8910000 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL8909987 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL7347831 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL31506428 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL5541452 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL2059435 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
Oxalic Acid SCHEMBL7207478 0.98 ATM (0.59) ATMCTSSCTSKCTSLCTSB
Oxalic Acid SCHEMBL8716603 0.98 ATM (0.59) ATMCTSSCTSKCTSLCTSB
Malonic Acid SCHEMBL8710814 0.96 ATM (0.58) ATMCTSSCTSKCTSLCTSB
Oxalic Acid SCHEMBL7211894 0.96 ATM (0.58) ATMCTSSCTSKCTSLCTSB

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
WO-2020159343-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING MIDDLE EAST RESPIRATORY SYNDROME 재단법인 경기도경제과학진흥원 2020-08-06 WO disclosed