SCHEMBL2555657

SCHEMBL2555657

COc1cccc(C=O)c1OC(C)C(=O)NC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
TLR2 O60603 1/20 0.44
ERN1 O75460 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NFE2L2 Q16236 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
ACMSD Q8TDX5 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 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
SCHEMBL2556723 0.86 SRC (0.51) SRCTLR2ERN1TLR1TLR6
SCHEMBL15333363 0.85 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL2560107 0.85 SRC (0.50) SRCTLR2ERN1TLR1TLR6
SCHEMBL20068035 0.83 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL2557678 0.83 LMNA (0.47) SRCALDH1A1LMNAKMT2AHPGD
SCHEMBL29954241 0.82 SRC (0.48) SRCTLR2ERN1TLR1TLR6
SCHEMBL15331107 0.81 KMT2A (0.58) SRCTLR2ERN1TLR1TLR6
SCHEMBL2562126 0.81 SRC (0.46) SRCTLR2ERN1TLR1TLR6
SCHEMBL29952571 0.81 HPGD (0.50) SRCTLR2ERN1TLR1TLR6
SCHEMBL2560004 0.80 SRC (0.45) SRCTLR2ERN1TLR1TLR6

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