SCHEMBL2562291

SCHEMBL2562291

COc1cc(C(=O)O)cc(-c2csc(C=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CSNK2A1 P68400 1/20 0.38
FABP1 P07148 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ERN1 O75460 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TYMS P04818 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL15332306 0.79 CA12 (0.47) ERN1CA1CA2KDM4EALDH1A1
SCHEMBL15330929 0.78 CYP2E1 (0.49) RXRAHSD17B1HSD17B2ERN1CA1
SCHEMBL2554759 0.78 KDM4E (0.35) ERN1KDM4EALDH1A1
SCHEMBL2557141 0.78 TPMT (0.48) RXRAERN1KDM4ENPC1RAB9A
SCHEMBL15331511 0.78 HCAR1 (0.43) ERN1
SCHEMBL2561821 0.77 RXRA (0.64) RXRAHSD17B1HSD17B2STIM1ORAI1
SCHEMBL29128751 0.76 RXRA (0.72) RXRASTIM1ORAI1CA1CA2
SCHEMBL29572748 0.76 RXRA (0.67) RXRAHSD17B1HSD17B2FABP1CA1
SCHEMBL15331069 0.74 RXRA (0.49) RXRAKDM4EALDH1A1
SCHEMBL14150399 0.73 RXRA (0.69) RXRAHSD17B1HSD17B2FABP1STIM1

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