SCHEMBL2558415

SCHEMBL2558415

O=Cc1cc(-c2ccc(C(=O)O)cc2O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
GAA P10253 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM5A P29375 2/20 0.44
ERN1 O75460 4/20 0.43
MYC P01106 2/20 0.40
TTR P02766 3/20 0.39
AMY1A P0DUB6 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL2557822 0.85 ADH5 (0.46) POLBKDM4EGAAL3MBTL1MYC
SCHEMBL2560151 0.85 ADH5 (0.46) KDM4EERN1ALDH1A1UNGLMNA
SCHEMBL15331105 0.82 TSHR (0.46) POLBKDM4ECA12CA1MAPT
SCHEMBL2559757 0.82 ERN1 (0.43) POLBKDM4EGAAERN1TTR
SCHEMBL2562064 0.81 CA12 (0.50) CA12CA1CA2CA4CA6
SCHEMBL2552759 0.80 ERN1 (0.51) KDM4EGAAERN1ALDH1A1KMT2A
SCHEMBL5704948 0.78 KDM4E (0.37) POLBKDM4ECA1CA2MAPT
SCHEMBL2556885 0.76 KMO (0.56) POLBKDM4EGAAL3MBTL1ERN1
SCHEMBL2555012 0.76 ALDH1A1 (0.60) POLBKDM4ECA12CA1CA2
SCHEMBL26981142 0.75 KDM4E (0.64) POLBKDM4ECA12CA1CA2

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