SCHEMBL29954587

SCHEMBL29954587

COC(=O)CC[C@H](N)c1cc(C)cc(C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.45
SLC1A1 P43005 1/20 0.34
SRC P12931 2/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 3/20 0.32
HSD17B10 Q99714 1/20 0.32
GRK6 P43250 1/20 0.32
APP P05067 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29951521 1.00 ERN1 (0.45) ERN1SLC1A1SRCCNR1CNR2
SCHEMBL29957454 0.88 ERN1 (0.49) ERN1SRCMAPTGRK6LMNA
SCHEMBL29952652 0.88 ERN1 (0.49) ERN1SRCMAPTGRK6LMNA
SCHEMBL29953033 0.85 ERN1 (0.49) ERN1SLC1A1SRCMAPTGRK6
SCHEMBL29955683 0.85 ERN1 (0.49) ERN1SLC1A1SRCMAPTGRK6
SCHEMBL15331771 0.81 ERN1 (0.53) ERN1SRCGRK6ALDH1A1
SCHEMBL15333065 0.81 ERN1 (0.53) ERN1SRCGRK6ALDH1A1
SCHEMBL15332204 0.81 ERN1 (0.53) ERN1SRCMAPTGRK6LMNA
SCHEMBL2561255 0.81 ERN1 (0.53) ERN1SRCMAPTGRK6LMNA
SCHEMBL29950878 0.81 ERN1 (0.46) ERN1SRCGRK6ALDH1A1

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 1 patent. 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