SCHEMBL4757883

SCHEMBL4757883

O=C(O)c1ccc2c(n1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
TSHR P16473 3/20 0.42
ALOX15 P16050 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G10 O15496 1/20 0.40
MGAM O43451 1/20 0.39
ALPL P05186 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL30134003 0.84 KDM4E (0.44) KDM4ETSHRALOX15KMT2AMEN1
SCHEMBL102595 0.84 KDM4E (0.44) KDM4ETSHRALOX15KMT2AMEN1
SCHEMBL25139836 0.80 PTGS1 (0.40) KDM4ETSHRTDP1KMT2AMEN1
SCHEMBL22234994 0.76 PLA2G10 (0.43) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL30428448 0.76 PLA2G10 (0.46) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL29276421 0.76 PLA2G10 (0.46) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL2431316 0.74 PTGS1 (0.43) KDM4ETSHRKMT2AMEN1SMN1; SMN2
SCHEMBL25528035 0.74 GRM1 (0.42) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL19859465 0.73 GRM5 (0.50) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL15003281 0.72 KDM4E (0.36) KDM4ETSHRALOX15PLA2G10ALPL

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-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed