SCHEMBL6891489

SCHEMBL6891489

CC(=O)C=Cc1cc(C(=O)O)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.48
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IAPP P10997 2/20 0.36
PTGS1 P23219 1/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6891483 1.00 DAO (0.48) DAORARBRARGRXRARXRB
SCHEMBL13305777 0.78 DAO (0.42) DAOGLATDP1IAPPPTGS1
SCHEMBL8948187 0.78 DAO (0.42) DAOGLATDP1IAPPPTGS1
SCHEMBL23093666 0.78 DAO (0.41) DAORARBRARGRXRARXRB
SCHEMBL23093667 0.78 DAO (0.41) DAORARBRARGRXRARXRB
SCHEMBL12919403 0.75 GLA (0.40) GLATDP1IAPPPTGS1GAA
SCHEMBL1471364 0.75 DAO (0.52) DAORARBRARGRXRARXRB
SCHEMBL23110162 0.75 DAO (0.42) DAORARBRARGRXRARXRB
SCHEMBL27597008 0.74 TTR (0.46) DAOGAAKMT2AMAPTMEN1
SCHEMBL17344061 0.69 TDP1 (0.55) GLATDP1IAPPPTGS1ESR1

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-2004018462-A1 QUINAZOLINONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-03-04 WO disclosed