SCHEMBL9725826

SCHEMBL9725826

CCN(CC)C(=O)c1ccc([C@@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.41
PSEN2 P49810 8/20 0.41
APH1B Q8WW43 8/20 0.41
NCSTN Q92542 8/20 0.41
APH1A Q96BI3 8/20 0.41
PSENEN Q9NZ42 8/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
REN P00797 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL9725819 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270342 0.86 CA1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270348 0.86 CA1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270337 0.86 CA1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7297285 0.75 ALDH1A1 (0.42) KMT2AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL7268440 0.74 REN (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7268437 0.74 REN (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7268445 0.74 REN (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9146005 0.70 CA1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26838028 0.69 CA1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed