SCHEMBL23748816

SCHEMBL23748816

O=C(NC(CCO)C(=O)O)C1CCc2cn[nH]c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 8/20 0.52
ITGB6 P18564 8/20 0.52
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
PRKACA P17612 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32

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
SCHEMBL23748817 1.00 ITGAV (0.52) ITGAVITGB6MEN1GAAKMT2A
SCHEMBL17869170 0.74 PRKACA (0.42) ITGAVITGB6DAPK3JAK2CSF1R
SCHEMBL29887284 0.73 SIRT1 (0.40) ITGAVITGB6MEN1KMT2ALMNA
SCHEMBL17868933 0.70 JAK2 (0.36) ITGAVITGB6KMT2ADAPK3JAK2
SCHEMBL29887346 0.67 DGAT2 (0.37) ITGAVITGB6
SCHEMBL29887220 0.65 DGAT2 (0.34) ITGAVITGB6GAA
SCHEMBL30579256 0.65 ITGAV (0.32) ITGAVITGB6
SCHEMBL29887489 0.64 DGAT2 (0.40) GAALMNAPOLB
SCHEMBL29887582 0.64 DGAT2 (0.40) GAALMNAPOLB
SCHEMBL16228059 0.63 PRKACA (0.53) DAPK3JAK2CSF1RRETPRKACA

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
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed