SCHEMBL2553898

SCHEMBL2553898

COc1c(C(=O)O)cccc1-c1ccccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
SRC P12931 1/20 0.42
MYC P01106 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10945970 0.84 ALDH1A1 (0.49) CA1CA2MYCHTTKDM4E
SCHEMBL28455041 0.81 ERN1 (0.47) ERN1CA1CA2MYCHTT
SCHEMBL547698 0.80 LMNA (0.53) ERN1CA1CA2MYCHTT
SCHEMBL29955778 0.80 LMNA (0.53) ERN1CA1CA2MYCHTT
SCHEMBL4063170 0.80 HTT (0.56) CA1CA2MYCHTTKDM4E
SCHEMBL32674573 0.80 MYC (0.57) MYCHTTPOLBKDM4ELMNA
SCHEMBL2557529 0.80 ALDH1A1 (0.56) ERN1MYCPOLBKDM4ELMNA
SCHEMBL4632581 0.79 HNF4A (0.58) ERN1MYCHTTPOLBKDM4E
SCHEMBL30394743 0.79 HNF4A (0.58) ERN1MYCHTTPOLBKDM4E
SCHEMBL21357577 0.78 ALB (0.47) MYCHTTKDM4EALDH1A1HPGD

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