SCHEMBL8364975

SCHEMBL8364975

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.55
SYK P43405 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.52
CTSD P07339 2/20 0.49
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
CTSK P43235 3/20 0.48
ATM Q13315 1/20 0.48
CTRB1 P17538 2/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
PPARA Q07869 1/20 0.46
APP P05067 1/20 0.46
TACR1 P25103 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
SCHEMBL6931617 0.94 KLK5 (0.59) KLK5SYKTRPM8CTSDPSEN1
SCHEMBL16824022 0.90 SYK (0.61) KLK5SYKCTSKATMCTRB1
SCHEMBL16824023 0.90 SYK (0.61) KLK5SYKCTSKATMCTRB1
SCHEMBL18143207 0.90 SYK (0.61) KLK5SYKCTSKATMCTRB1
SCHEMBL19812740 0.90 SYK (0.61) KLK5SYKCTSKATMCTRB1
SCHEMBL6449655 0.87 CTSD (0.66) KLK5TRPM8CTSDPSEN1PSEN2
SCHEMBL6444857 0.87 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8534875 0.87 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6445261 0.87 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6445320 0.87 KLK5 (0.63) 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
WO-2003006013-A1 DIAMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed