SCHEMBL8063159

SCHEMBL8063159

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL8064604 0.92 ALDH1A1 (0.46) KMT2ANPC1MEN1L3MBTL1ALDH1A1
SCHEMBL8072732 0.91 ALDH1A1 (0.51) KMT2ANPC1MEN1L3MBTL1ALDH1A1
SCHEMBL8071202 0.90 ALDH1A1 (0.53) KMT2ANPC1MEN1L3MBTL1ALDH1A1
SCHEMBL8072890 0.90 ALDH1A1 (0.53) KMT2ANPC1MEN1L3MBTL1ALDH1A1
SCHEMBL7696993 0.83 TAS1R3 (0.42) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL7663129 0.79 APOBEC3G (0.41) ALDH1A1SMN1; SMN2
SCHEMBL8063158 0.77 RAB9A (0.57) KMT2ANPC1MEN1ALDH1A1LMNA
Propiophenone SCHEMBL28517299 0.77 SMN1; SMN2 (0.49) KMT2ANPC1MEN1L3MBTL1ALDH1A1
SCHEMBL7694919 0.76 MAPT (0.37) KMT2ANPC1MEN1L3MBTL1ALDH1A1
SCHEMBL443825 0.76 ALDH1A1 (0.54) KMT2ANPC1MEN1ALDH1A1LMNA

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