SCHEMBL2558583

SCHEMBL2558583

Cc1cccc(C)c1OCc1ccccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
LIPE Q05469 1/20 0.43
SCN4A P35499 5/20 0.42
SCN8A Q9UQD0 3/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
KCNK3 O14649 1/20 0.42
CACNA1F O60840 1/20 0.42

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
SCHEMBL2560333 0.86 LIPE (0.53) LIPGLIPELMNATSHRCYP1A2
SCHEMBL2554822 0.85 LIPE (0.49) LIPELMNATSHRKMT2AALDH1A1
SCHEMBL2552633 0.84 FABP4 (0.44) LIPGLIPELMNAMAOAMAOB
SCHEMBL2559245 0.82 GLRA1 (0.40) LIPGLIPELMNATSHRCYP1A2
SCHEMBL4109060 0.79 SCN8A (0.44) PTGER1PTGER4PTGER3PTGER2SCN4A
SCHEMBL1260133 0.79 LIPG (0.50) LIPGLIPELMNACYP1A2MAOA
SCHEMBL15330268 0.79 LIPE (0.62) LIPEMAOBENPP2
SCHEMBL29954831 0.79 LIPE (0.62) PTGER1PTGER4PTGER3PTGER2LIPE
SCHEMBL2558709 0.78 ESR1 (0.48) HTR2ASLC6A4MAOBKMT2AALDH1A1
SCHEMBL2290933 0.78 IDO1 (0.50) PTGER1PTGER4PTGER3PTGER2SCN4A

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