SCHEMBL2555779

SCHEMBL2555779

N#Cc1cccc(COc2ccc(B(O)O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
FFAR4 Q5NUL3 1/20 0.60
ENPP2 Q13822 3/20 0.54
MAOB P27338 5/20 0.51
MAOA P21397 2/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
GRM5 P41594 2/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
KCNH2 Q12809 1/20 0.49
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
ALKBH1 Q13686 1/20 0.46

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
SCHEMBL29954614 0.89 ENPP2 (0.59) FFAR1FFAR4ENPP2MAOBMAOA
SCHEMBL2553460 0.81 ENPP2 (0.63) ENPP2MAOBMAOACYP4F2CYP4A11
SCHEMBL1248693 0.81 MAOB (0.66) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL2559641 0.80 MAOB (0.67) ENPP2MAOBMAOA
SCHEMBL13232461 0.80 GRM5 (0.62) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL8549374 0.80 FFAR1 (0.60) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL22874523 0.80 MAOB (0.62) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL2015368 0.80 FFAR1 (0.60) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL177403 0.79 MAOB (0.62) FFAR1ENPP2MAOBMAOA
SCHEMBL2563261 0.79 MAOB (0.65) ENPP2MAOBMAOA

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