SCHEMBL29952548

SCHEMBL29952548

Cc1cc(C=O)c(O)c([C@@H](N)CCCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
SRC P12931 1/20 0.38
GRK6 P43250 1/20 0.37
TBXA2R P21731 3/20 0.36
ENPEP Q07075 2/20 0.33
PDE5A O76074 1/20 0.32
GAA P10253 1/20 0.32
FABP4 P15090 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29950878 1.00 ERN1 (0.46) ERN1SRCGRK6TBXA2RENPEP
SCHEMBL29955683 0.92 ERN1 (0.49) ERN1SRCGRK6TBXA2RENPEP
SCHEMBL29953033 0.92 ERN1 (0.49) ERN1SRCGRK6TBXA2RENPEP
SCHEMBL15331606 0.85 ERN1 (0.50) ERN1SRCGRK6
SCHEMBL15330741 0.85 ERN1 (0.50) ERN1SRCGRK6
SCHEMBL15330776 0.84 ERN1 (0.49) ERN1SRCGRK6
SCHEMBL15330981 0.84 ERN1 (0.49) ERN1SRCGRK6
SCHEMBL15331771 0.82 ERN1 (0.53) ERN1SRCGRK6PDE5AALDH1A1
SCHEMBL15332204 0.82 ERN1 (0.53) ERN1SRCGRK6
SCHEMBL2561255 0.82 ERN1 (0.53) ERN1SRCGRK6

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