SCHEMBL2554810

SCHEMBL2554810

COc1cc(CCC=O)ccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.57
LOX P28300 1/20 0.57
FFAR1 O14842 1/20 0.41
GSK3B P49841 3/20 0.40
GSK3A P49840 2/20 0.40
SLC13A5 Q86YT5 1/20 0.37
CDK2 P24941 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
PLA2G7 Q13093 1/20 0.36
NR3C2 P08235 3/20 0.36
LRRK2 Q5S007 1/20 0.35
IDH1 O75874 1/20 0.35
ACACB O00763 1/20 0.34
GRM2 Q14416 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 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
SCHEMBL17047222 0.84 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL12093687 0.79 LOXL2 (0.65) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL12093676 0.77 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL14486857 0.77 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL31583016 0.77 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL6218599 0.77 LOXL2 (0.73) LOXL2LOXFFAR1KDM4EGLA
SCHEMBL362871 0.77 UHRF1 (0.42) FFAR1GSK3BGSK3ANR3C2
SCHEMBL2497237 0.77 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL22336235 0.77 LOXL2 (0.68) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL2170770 0.77 PARP1 (0.38) LOXL2LOXNR3C2

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 8 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-2012150829-A2 NOBLE TRIAZOLOPYRIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 제일약품주식회사 (KR) 2012-11-08 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed