SCHEMBL2556869

SCHEMBL2556869

CC(=O)c1cccc(-c2cnccc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDT P30046 1/20 0.51
KMO O15229 1/20 0.50
EIF4E P06730 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
FYN P06241 2/20 0.44
MAP4K4 O95819 3/20 0.44
CLK4 Q9HAZ1 3/20 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
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ABL1 P00519 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
SCHEMBL31733899 0.90 DDT (0.62) DDTKMOALDH1A1MKNK2KDM4C
SCHEMBL2560779 0.89 DDT (0.51) DDTKMOEIF4EALDH1A1HTT
SCHEMBL2553120 0.82 LTB4R2 (0.47) EIF4EALDH1A1MKNK2KDM4CKDM4D
SCHEMBL6792767 0.80 UCHL5 (0.54) DDTKMOEIF4EMAP4K4CLK4
SCHEMBL29952530 0.80 UCHL5 (0.54) DDTKMOEIF4EMAP4K4CLK4
SCHEMBL2749796 0.80 KDM4C (0.53) ALDH1A1RPS6KA3KDM4CKDM4D
SCHEMBL22467562 0.79 CDK8 (0.51) KMOALDH1A1HTTFYNMAP4K4
SCHEMBL21056656 0.79 KIF11 (0.53) DDTALDH1A1KDM4CKDM4DADRB1
SCHEMBL2559953 0.79 DDT (0.50) DDTEIF4EFYNMAP4K4CLK4
SCHEMBL28270190 0.79 KDM4C (0.49) DDTKMOALDH1A1MKNK2KDM4C

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