SCHEMBL8072890

SCHEMBL8072890

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
FAAH O00519 5/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL8071202 1.00 ALDH1A1 (0.53) ALDH1A1FAAHCNR1CNR2KMT2A
SCHEMBL8072732 0.99 ALDH1A1 (0.51) ALDH1A1FAAHCNR1CNR2KMT2A
SCHEMBL8064604 0.95 ALDH1A1 (0.46) ALDH1A1FAAHCNR1CNR2KMT2A
SCHEMBL8063159 0.90 KMT2A (0.46) ALDH1A1KMT2AL3MBTL1KDM4EMAPT
Hydrochloric Acid SCHEMBL134868 0.81 S1PR2 (0.51) KMT2AL3MBTL1MAPTMEN1NPC1
SCHEMBL8063795 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8072408 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL7674007 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL7694919 0.80 MAPT (0.37) ALDH1A1FAAHCNR1CNR2KMT2A
SCHEMBL8063328 0.79 PRSS1 (0.53) ALDH1A1FAAHCNR1CNR2KMT2A

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