SCHEMBL2554749

SCHEMBL2554749

Cc1cc(Cl)ccc1OCc1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.53
ENPP2 Q13822 3/20 0.49
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 1/20 0.47
PPARA Q07869 1/20 0.45
CCR5 P51681 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SCN4A P35499 1/20 0.43

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
SCHEMBL6833481 0.91 ENPP2 (0.52) MRGPRX4ENPP2FFAR4FFAR1PPARA
SCHEMBL20629081 0.86 MRGPRX4 (0.58) MRGPRX4FFAR4FFAR1PPARACCR5
SCHEMBL2561404 0.85 MRGPRX4 (0.51) MRGPRX4ENPP2FFAR4FFAR1CYP1A2
SCHEMBL2558867 0.85 MRGPRX4 (0.62) MRGPRX4ENPP2KMT2A
SCHEMBL2559560 0.85 MRGPRX4 (0.63) MRGPRX4ENPP2FFAR4FFAR1SCN4A
SCHEMBL2556022 0.82 MRGPRX4 (0.51) MRGPRX4ENPP2TP53MEN1MAPT
SCHEMBL9893596 0.81 MRGPRX4 (0.54) MRGPRX4ENPP2FFAR4FFAR1KDM4E
SCHEMBL13144443 0.80 MRGPRX4 (0.68) MRGPRX4FFAR4FFAR1PPARATP53
SCHEMBL2554884 0.79 ENPP2 (0.59) MRGPRX4ENPP2FFAR4FFAR1CYP1A2
SCHEMBL20214215 0.79 ALDH1A1 (0.61) CYP1A2KDM4ETP53ALOX15MEN1

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