SCHEMBL29952652

SCHEMBL29952652

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.49
SRC P12931 2/20 0.35
MAPT P10636 3/20 0.33
GRK6 P43250 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC7A5 Q01650 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
SCHEMBL29957454 1.00 ERN1 (0.49) ERN1SRCMAPTGRK6LMNA
SCHEMBL29951521 0.88 ERN1 (0.45) ERN1SRCMAPTGRK6LMNA
SCHEMBL29954587 0.88 ERN1 (0.45) ERN1SRCMAPTGRK6LMNA
SCHEMBL2556348 0.81 ERN1 (0.56) ERN1SRCMAPTGRK6LMNA
SCHEMBL15332113 0.81 ERN1 (0.56) ERN1SRCMAPTGRK6LMNA
SCHEMBL15329877 0.81 ERN1 (0.56) ERN1SRCMAPTGRK6LMNA
SCHEMBL15331019 0.81 ERN1 (0.56) ERN1SRCGRK6LMNA
SCHEMBL15329806 0.81 ERN1 (0.56) ERN1SRCMAPTGRK6LMNA
SCHEMBL15332204 0.78 ERN1 (0.53) ERN1SRCMAPTGRK6LMNA
SCHEMBL2561255 0.78 ERN1 (0.53) ERN1SRCMAPTGRK6LMNA

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