SCHEMBL7916647

SCHEMBL7916647

CC(=O)[C@H](CC(C)C)NCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KISS1R Q969F8 4/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
FOLH1 Q04609 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MME P08473 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PSMB5 P28074 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LAP3 P28838 1/20 0.33

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
SCHEMBL8768447 0.84 ALDH1A1 (0.41) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL8768456 0.84 ALDH1A1 (0.41) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7563709 0.82 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL23084216 0.82 ALDH1A1 (0.47) ALDH1A1KISS1RMEN1LMNAKMT2A
SCHEMBL7563707 0.82 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL15381258 0.80 ALDH1A1 (0.45) ALDH1A1KISS1RMEN1LMNAKMT2A
SCHEMBL16382874 0.79 ALDH1A1 (0.48) ALDH1A1KISS1RMEN1LMNAKMT2A
SCHEMBL25635660 0.78 TAS1R3 (0.46) FOLH1MME
SCHEMBL20630558 0.77 KISS1R (0.50) ALDH1A1KISS1RMEN1LMNAKMT2A
SCHEMBL13238863 0.76 ALDH1A1 (0.50) ALDH1A1KISS1RMEN1LMNAKMT2A

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-2010048446-A2 MODULATION OF AXON DEGENERATION GENENTECH, INC. (US) 2010-04-29 WO disclosed