SCHEMBL29953033

SCHEMBL29953033

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.49
SRC P12931 2/20 0.39
GRK6 P43250 1/20 0.38
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
SLC6A2 P23975 1/20 0.33

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
SCHEMBL29955683 1.00 ERN1 (0.49) ERN1SRCGRK6GABRPGABRD
SCHEMBL29952548 0.92 ERN1 (0.46) ERN1SRCGRK6TSHRTBXA2R
SCHEMBL29950878 0.92 ERN1 (0.46) ERN1SRCGRK6TSHRTBXA2R
SCHEMBL29951521 0.85 ERN1 (0.45) ERN1SRCGRK6MEN1KMT2A
SCHEMBL29954587 0.85 ERN1 (0.45) ERN1SRCGRK6MEN1KMT2A
SCHEMBL15332204 0.84 ERN1 (0.53) ERN1SRCGRK6MAPT
SCHEMBL15331771 0.84 ERN1 (0.53) ERN1SRCGRK6PDE5AALDH1A1
SCHEMBL2561255 0.84 ERN1 (0.53) ERN1SRCGRK6MAPT
SCHEMBL15333065 0.84 ERN1 (0.53) ERN1SRCGRK6PDE5AALDH1A1
SCHEMBL15330741 0.82 ERN1 (0.50) 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