SCHEMBL2554045

SCHEMBL2554045

COc1ccc(C(C(C)=O)C(C)=O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 4/20 0.49
POLB P06746 4/20 0.49
AKR1C3 P42330 8/20 0.46
AKR1C2 P52895 8/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC16A3 O15427 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL14915840 0.88 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL22149208 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL14915520 0.85 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL12546032 0.83 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL24257971 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL30575774 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL14915522 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL383820 0.76 ALDH1A1 (0.66) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL29784810 0.75 HTT (0.41) SMN1; SMN2KDM4EPOLBALDH1A1HPGD
SCHEMBL3037245 0.75 ALDH1A1 (0.65) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2

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