SCHEMBL2558644

SCHEMBL2558644

Cc1ccc(OCc2cccc(F)c2)c(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
ENPP2 Q13822 1/20 0.51
LIPE Q05469 1/20 0.49
MAOB P27338 6/20 0.48
HTR6 P50406 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
AKR1C3 P42330 1/20 0.45

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
SCHEMBL13723490 0.90 ENPP2 (0.58) MRGPRX4ENPP2LIPEMAOBHTR6
SCHEMBL29951117 0.90 ENPP2 (0.55) MRGPRX4ENPP2LIPEMAOBHTR6
SCHEMBL2557416 0.85 LIPE (0.51) MRGPRX4ENPP2LIPELMNAMAPT
SCHEMBL1753346 0.85 LIPE (0.68) MRGPRX4ENPP2LIPEMAOBLMNA
SCHEMBL2559478 0.84 ENPP2 (0.72) MRGPRX4ENPP2LIPEMAOBHTR6
SCHEMBL13906686 0.84 MRGPRX4 (0.53) MRGPRX4MAOBHTR6LMNAKDM4E
SCHEMBL30631550 0.84 ENPP2 (0.71) MRGPRX4ENPP2LIPEMAOBHTR6
SCHEMBL2558783 0.84 ENPP2 (0.71) MRGPRX4ENPP2LIPEMAOBHTR6
SCHEMBL12524900 0.84 MRGPRX4 (0.62) MRGPRX4MAOBHTR6LMNAKDM4E
SCHEMBL2561025 0.82 LIPE (0.51) MRGPRX4ENPP2LIPELMNAGAA

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