SCHEMBL2560285

SCHEMBL2560285

CN[C@H](C)c1cc(C)cc(C=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.58
SRC P12931 2/20 0.37
TYR P14679 1/20 0.34
GRK6 P43250 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALB P02768 1/20 0.32

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
SCHEMBL2552036 1.00 ERN1 (0.58) ERN1SRCTYRGRK6HTR2A
SCHEMBL310863 0.82 ERN1 (0.67) ERN1SRCTYRALB
SCHEMBL2551064 0.80 ERN1 (0.53) ERN1SRCGRK6
SCHEMBL2561671 0.79 ERN1 (0.62) ERN1SRCTYRGRK6ALB
SCHEMBL15330321 0.79 ERN1 (0.62) ERN1SRCTYRGRK6ALB
SCHEMBL2555287 0.77 ERN1 (0.45) ERN1
SCHEMBL2562452 0.77 ERN1 (0.45) ERN1
SCHEMBL15331567 0.77 ERN1 (0.58) ERN1SRCTYRGRK6ALB
SCHEMBL15331547 0.77 ERN1 (0.58) ERN1SRCTYRGRK6ALB
SCHEMBL310746 0.77 ERN1 (0.58) ERN1SRCTYRGRK6

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