SCHEMBL2560577

SCHEMBL2560577

COc1cccc(C=O)c1OCC(C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 4/20 0.45
POLB P06746 1/20 0.45
NFE2L2 Q16236 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL15331468 0.88 KMT2A (0.41) SRCTLR2ERN1TLR1TLR6
SCHEMBL635694 0.83 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL2553529 0.83 CA1 (0.38) SRCTLR2ERN1TLR1TLR6
SCHEMBL2562178 0.82 ALDH1A1 (0.54) SRCNPC1RAB9AKDM4ELMNA
SCHEMBL15330537 0.81 SRC (0.55) SRCTLR2ERN1TLR1TLR6
SCHEMBL15333363 0.80 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL2558191 0.78 NPC1 (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL2559583 0.77 ALDH1A1 (0.54) KDM4EPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL15330449 0.76 SRC (0.50) SRCTLR2ERN1TLR1TLR6
SCHEMBL2554736 0.76 PTGDR2 (0.62) 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