SCHEMBL2559248

SCHEMBL2559248

O=Cc1cccc(OCc2cccc(C(=O)O)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.71
MAOB P27338 4/20 0.71
MRGPRX4 Q96LA9 11/20 0.67
NR4A2 P43354 4/20 0.67
TP53 P04637 2/20 0.60
PKM P14618 2/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
RAB9A P51151 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL28941947 0.87 MRGPRX4 (0.70) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL2555133 0.87 MAOA (0.73) MAOAMAOBNR4A2PKMSMN1; SMN2
SCHEMBL29953186 0.87 MRGPRX4 (0.70) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL31482043 0.87 MAOA (0.73) MAOAMAOBNR4A2PKMSMN1; SMN2
SCHEMBL4406160 0.87 NR4A2 (0.87) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL9368875 0.85 MRGPRX4 (0.66) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL9369666 0.85 MRGPRX4 (0.69) MAOAMAOBMRGPRX4TP53PKM
SCHEMBL314161 0.84 MAOB (1.00) MAOAMAOBPKMRAB9A
SCHEMBL4138759 0.84 NR4A2 (0.81) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL29454637 0.84 MAOB (1.00) MAOAMAOBPKMRAB9A

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