SCHEMBL7990404

SCHEMBL7990404

C=CCCCN(C)C(=O)C(CC(C)C)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSB P07858 4/20 0.32
CTSL P07711 3/20 0.32
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
MAPT P10636 1/20 0.32
FOLH1 Q04609 3/20 0.31
PLA2G2A P14555 2/20 0.31
PLA2G5 P39877 2/20 0.31

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
SCHEMBL7990402 1.00 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7986213 0.85 ALDH1A1 (0.33) ALDH1A1LMNAMAPT
SCHEMBL7987070 0.82 PLA2G2C (0.34) ALDH1A1
SCHEMBL7987314 0.82 MME (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7975796 0.80 ALDH1A1 (0.32) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7986623 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7975696 0.77 SLC7A5 (0.39) ALDH1A1LMNAMAPT
SCHEMBL7975699 0.77 SLC7A5 (0.39) ALDH1A1LMNAMAPT
SCHEMBL7993920 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACTSLMAPT
SCHEMBL7993921 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACTSLMAPT

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-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed