SCHEMBL2558882

SCHEMBL2558882

CC(=O)c1cccc(OCc2cc(C(=O)O)co2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.60
MAOA P21397 4/20 0.53
NR4A2 P43354 4/20 0.52
SRD5A2 P31213 1/20 0.50
KMT2A Q03164 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48

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
SCHEMBL29954816 1.00 MAOB (0.60) MAOBMAOANR4A2SRD5A2KMT2A
SCHEMBL2559526 0.85 MAOB (0.54) MAOBMAOA
SCHEMBL2560715 0.81 MAOA (0.55) MAOBMAOANR4A2SRD5A2KMT2A
SCHEMBL15330790 0.79 MAOB (0.64) MAOBMAOAKMT2A
SCHEMBL29956938 0.79 MAOB (0.64) MAOBMAOAKMT2A
SCHEMBL68983 0.76 MAOB (1.00) MAOBMAOANR4A2SRD5A2KMT2A
SCHEMBL2560777 0.75 TP53 (0.60) MAOBMAOANR4A2KMT2ANR4A1
SCHEMBL2559881 0.75 ESR1 (0.63) MAOBMAOANR4A2KMT2ANR4A1
SCHEMBL29953609 0.75 ESR1 (0.63) MAOBMAOANR4A2KMT2ANR4A1
SCHEMBL7505965 0.75 NR4A2 (0.61) NR4A2SRD5A2KMT2ANR4A1NR4A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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