SCHEMBL2558191

SCHEMBL2558191

COc1cccc(C=O)c1OCCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SRC P12931 1/20 0.52
TLR2 O60603 1/20 0.49
ERN1 O75460 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFE2L2 Q16236 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2555476 0.88 MEN1 (0.43) NPC1RAB9ASRCTLR2ERN1
SCHEMBL15330537 0.86 SRC (0.55) NPC1RAB9ASRCTLR2ERN1
SCHEMBL2554537 0.84 NPC1 (0.52) NPC1RAB9ASRCTLR2ERN1
SCHEMBL20150688 0.83 NPC1 (0.51) NPC1RAB9ASRCTLR2ERN1
SCHEMBL7357540 0.82 NPC1 (0.59) NPC1RAB9ASRCTLR2ERN1
SCHEMBL637742 0.82 NPC1 (0.61) NPC1RAB9ASRCTLR2ERN1
SCHEMBL29956589 0.82 RAB9A (0.50) NPC1RAB9ASRCTLR2ERN1
SCHEMBL637169 0.81 NPC1 (0.60) NPC1RAB9ASRCTLR2ERN1
SCHEMBL2559195 0.81 NPC1 (0.49) NPC1RAB9ASRCTLR2ERN1
SCHEMBL2558715 0.81 ALDH1A1 (0.67) NPC1RAB9ASRCLMNAKDM4E

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