SCHEMBL2561397

SCHEMBL2561397

Cc1cc(C)cc(OCc2ccc(B(O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
CA2 P00918 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSPO P30536 1/20 0.44
ENPP2 Q13822 3/20 0.43
PARP10 Q53GL7 1/20 0.43
MAOB P27338 4/20 0.42
GRM5 P41594 2/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL2558394 0.86 PARP10 (0.58) SMN1; SMN2LPLLIPGCA2TSPO
SCHEMBL16687433 0.85 MAOB (0.54) ENPP2MAOB
SCHEMBL2553625 0.84 MAOB (0.58) SMN1; SMN2LPLLIPGCA2ENPP2
SCHEMBL16687435 0.84 MAOB (0.58) SMN1; SMN2LPLLIPGCA2ENPP2
SCHEMBL29951063 0.82 GRM5 (0.51) TSPOENPP2MAOBGRM5
SCHEMBL2556339 0.82 ENPP2 (0.60) LPLLIPGENPP2MAOBGRM5
SCHEMBL15781850 0.81 MAOB (0.59) SMN1; SMN2TDP1PARP10MAOBGRM5
SCHEMBL12420267 0.81 APP (0.54) LPLLIPGCA2ENPP2PARP10
SCHEMBL2560717 0.80 RAB9A (0.50) SMN1; SMN2LPLLIPGCA2TDP1
SCHEMBL15331901 0.79 ENPP2 (0.45) ENPP2MAOB

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