SCHEMBL2558847

SCHEMBL2558847

O=CCC(=O)c1ccc(Br)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.63
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
DAO P14920 1/20 0.53
NPSR1 Q6W5P4 3/20 0.47
RXFP1 Q9HBX9 3/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 6/20 0.45
HPGD P15428 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.41
PPARG P37231 2/20 0.41
NCOA2 Q15596 2/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15988673 0.79 GSK3B (0.73) GSK3BCES2CES1DAONPSR1
SCHEMBL6209761 0.79 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL10844749 0.78 GSK3B (0.70) GSK3BCES2CES1DAONPSR1
SCHEMBL193501 0.78 GSK3B (1.00) GSK3BCES2CES1DAONPSR1
SCHEMBL2560759 0.77 GSK3B (0.63) GSK3BDAOGAAKDM4EALDH1A1
SCHEMBL2561177 0.77 DAO (0.53) GSK3BDAOKDM4EALDH1A1KMT2A
SCHEMBL1895582 0.77 GSK3B (0.63) GSK3BCES2CES1DAONPSR1
SCHEMBL5147503 0.76 GSK3B (0.72) GSK3BCES2CES1DAONPSR1
SCHEMBL3998532 0.76 GSK3B (1.00) GSK3BCES2CES1DAONPSR1
SCHEMBL3472612 0.76 GSK3B (0.68) GSK3BCES2CES1DAONPSR1

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