SCHEMBL9525798

SCHEMBL9525798

Cc1ccccc1C(O)c1sccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
ACP3 P15309 1/20 0.35
ADRA1D P25100 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL30460668 0.79 OPRM1 (0.40) ALOX5ADRA1DMEN1LMNAMAPT
SCHEMBL8629570 0.77 GAA (0.44) GAAESR1ACP3MEN1ALDH1A1
SCHEMBL598722 0.77 GAA (0.57) GAAESR1ACP3MEN1ALDH1A1
SCHEMBL13993318 0.72 ESR1 (0.59) GAAESR1ACP3ALDH1A1
SCHEMBL30507724 0.70 ESR1 (0.56) GAAESR1ACP3ALDH1A1
Alcohol SCHEMBL598781 0.70 GAA (0.50) GAAESR1ACP3ALDH1A1LMNA
SCHEMBL28973546 0.70 GAA (0.65) GAAESR1ACP3MEN1LMNA
SCHEMBL3858791 0.70 GAA (0.65) GAAESR1ACP3MEN1LMNA
SCHEMBL227491 0.70 GAA (0.65) GAAESR1ACP3MEN1LMNA
SCHEMBL28564145 0.69 ALOX5 (0.42) GAAALOX5LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231996-B1 NOVEL AMINO ACID DERIVATIVES NOVO NORDISK A/S (DK) 1993-10-06 EP disclosed
US-4931450-A Amino acid derivatives NOVO INDUSTRI A/S (DK) 1990-06-05 US disclosed
EP-0231996-A2 Novel amino acid derivatives NOVO NORDISK A/S (DK) 1987-08-12 EP disclosed