SCHEMBL8072408

SCHEMBL8072408

CCCCCCCOC(=O)CC(N)CC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NAAA Q02083 1/20 0.45

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
SCHEMBL8063795 1.00 ALDH1A1 (0.49) ALDH1A1TSHRLMNANPC1KMT2A
SCHEMBL7674007 1.00 ALDH1A1 (0.49) ALDH1A1TSHRLMNANPC1KMT2A
SCHEMBL7666889 0.87 NPC1 (0.47) ALDH1A1TSHRLMNANPC1KMT2A
SCHEMBL7665297 0.86 TP53 (0.48) ALDH1A1TSHRNPC1KMT2APOLB
SCHEMBL7691680 0.84 CNR1 (0.44) ALDH1A1NPC1RAB9AMAPTNAAA
SCHEMBL7674818 0.84 ESR1 (0.46) ALDH1A1TSHRNPC1TP53RAB9A
SCHEMBL7689139 0.84 ESR1 (0.46) ALDH1A1TSHRNPC1TP53RAB9A
SCHEMBL16624902 0.83 L3MBTL1 (0.53) ALDH1A1TSHRLMNANPC1KMT2A
SCHEMBL7672047 0.82 ALDH1A1 (0.42) ALDH1A1TSHRLMNANPC1KDM4E
SCHEMBL7672413 0.82 ALDH1A1 (0.42) ALDH1A1TSHRLMNANPC1KDM4E

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