SCHEMBL2559953

SCHEMBL2559953

CC(=O)c1cccc(-c2cnc(O)cc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDT P30046 1/20 0.50
EIF4E P06730 1/20 0.47
MAP4K4 O95819 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CSNK1G2 P78368 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MAP4K5 Q9Y4K4 2/20 0.46
FYN P06241 4/20 0.44
KDR P35968 2/20 0.44
MAPK8 P45983 2/20 0.44
CDK8 P49336 2/20 0.44
ACVR1 Q04771 2/20 0.44
MST1R Q04912 2/20 0.44
ROCK1 Q13464 2/20 0.44
LRRK2 Q5S007 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
PLK4 O00444 1/20 0.44
DCLK1 O15075 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL15330869 0.85 DDT (0.49) DDTEIF4EMAP4K4CLK4CSNK1G2
SCHEMBL15330341 0.84 HSD17B1 (0.45) EIF4EMAP4K4MKNK2FOLH1PTPN11
SCHEMBL2556869 0.79 DDT (0.51) DDTEIF4EMAP4K4CLK4CSNK1G2
SCHEMBL2555681 0.78 TRIM24 (0.49) DDTCDK8DYRK1BCDK5BRD4
SCHEMBL6792767 0.76 UCHL5 (0.54) DDTEIF4EMAP4K4CLK4KDR
SCHEMBL29952530 0.76 UCHL5 (0.54) DDTEIF4EMAP4K4CLK4KDR
SCHEMBL2556052 0.76 DDT (0.48) DDTMAP4K4CLK4CSNK1G2MKNK2
SCHEMBL2562823 0.76 MAP4K4 (0.57) DDTEIF4EMAP4K4CLK4CSNK1G2
SCHEMBL2560779 0.76 DDT (0.51) DDTEIF4EMAP4K4CLK4CSNK1G2
SCHEMBL2557549 0.75 FOLH1 (0.52) DDTEIF4ECSNK2A1FOLH1PTPN11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed