SCHEMBL8064604

SCHEMBL8064604

CCCCC(C)OC(=O)CC(N)CC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.40
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRSS1 P07477 1/20 0.38

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
SCHEMBL8072732 0.96 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL8072890 0.95 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL8071202 0.95 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL8063159 0.92 KMT2A (0.46) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL7694919 0.85 MAPT (0.37) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL7665567 0.83 MAPT (0.42) ALDH1A1KMT2AL3MBTL1MAPTCTSK
SCHEMBL7672953 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2CTSK
SCHEMBL8064600 0.78 RAB9A (0.51) ALDH1A1KMT2AMEN1NPC1LMNA
Propiophenone SCHEMBL28509805 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL8063795 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1LMNA

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-6075051-A INDUCING LOCAL AND SYSTEMIC RESISTANCE OF THE CROP BY APPLYING TO THE CROP OR ITS LOCUS A COMPOSITION CONTAINING AN EFFECTIVE AMOUNT OF AT LEAST ONE BETA-AMINOBUTYRIC ACID OR BETA-AMINO VALERIC ACID AND SALTS THEREOF AGROGENE LTD. (IL) 2000-06-13 US claimed