SCHEMBL2557515

SCHEMBL2557515

Cc1cccc(C)c1OCc1cccc(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.56
LPL P06858 2/20 0.49
LIPG Q9Y5X9 2/20 0.49
LIPE Q05469 1/20 0.44
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
FFAR1 O14842 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SCN8A Q9UQD0 1/20 0.40

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
SCHEMBL2557599 0.84 ENPP2 (0.51) ENPP2LPLLIPGLIPEHTR1A
SCHEMBL3762036 0.84 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BFFAR1
SCHEMBL15329976 0.83 LPL (0.47) ENPP2LPLLIPGLIPEHTR1A
SCHEMBL2556973 0.82 ENPP2 (0.51) ENPP2LPLLIPGHTR1AADRA1D
SCHEMBL2558160 0.81 ENPP2 (0.61) ENPP2LPLLIPGMRGPRX4
SCHEMBL2556339 0.81 ENPP2 (0.60) ENPP2LPLLIPG
SCHEMBL16687434 0.81 ENPP2 (0.68) ENPP2LPLLIPGFFAR1MRGPRX4
SCHEMBL2562696 0.80 ENPP2 (0.50) ENPP2LPLLIPGLIPEMRGPRX4
SCHEMBL257845 0.80 ENPP2 (0.62) ENPP2FFAR1KMT2AMRGPRX4
SCHEMBL14217836 0.80 ENPP2 (0.42) ENPP2LPLLIPGLIPEHTR1A

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