SCHEMBL29954091

SCHEMBL29954091

CCn1c(C(=O)O)c(C=O)c2ccc(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
PTGER4 P35408 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 8/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DYRK1A Q13627 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 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
SCHEMBL2552008 0.89 TP53 (0.60) KDM4EMAPTTP53POLBALDH1A1
SCHEMBL29952730 0.85 MAPT (0.62) KDM4EMAPTTP53POLBALDH1A1
SCHEMBL2555312 0.83 TP53 (0.59) KDM4EMAPTTP53POLBALDH1A1
SCHEMBL4877551 0.83 ALDH1A1 (0.49) KDM4EMAPTTP53POLBTHRB
SCHEMBL15330019 0.83 TP53 (0.59) KDM4EMAPTTP53POLBALDH1A1
SCHEMBL2550735 0.82 TP53 (0.61) KDM4EMAPTTP53POLBALDH1A1
SCHEMBL2557382 0.82 MAPT (0.68) KDM4EMAPTTP53POLBALDH1A1
SCHEMBL2552975 0.81 KMT2A (0.71) MAPTTP53POLBALDH1A1MEN1
SCHEMBL23865364 0.78 POLB (0.74) KDM4EPOLBTHRBL3MBTL1ALDH1A1
SCHEMBL5240000 0.77 KDM4E (0.80) KDM4EPOLBDYRK1AALDH1A1MEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed