SCHEMBL2555833

SCHEMBL2555833

O=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NSD2 O96028 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
CASP3 P42574 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ERN1 O75460 2/20 0.46

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
SCHEMBL2557037 0.88 ERN1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2562814 0.86 ERN1 (0.48) ALDH1A1ERN1MAPTLMNA
SCHEMBL2771204 0.81 ALDH1A1 (0.68) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31099574 0.79 TYR (0.55) ERN1
SCHEMBL31081472 0.79 TYR (0.55) ERN1
SCHEMBL2555818 0.79 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2553312 0.78 ERN1 (0.49) ALDH1A1ERN1ACMSDMCL1HNF4A
SCHEMBL31568859 0.77 ERN1 (0.55) ERN1
SCHEMBL15331304 0.77 EIF4E (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2554378 0.77 ERN1 (0.75) ALDH1A1ERN1KDM4ELMNA

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