SCHEMBL8063158

SCHEMBL8063158

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 2/20 0.52
CTSG P08311 5/20 0.49
CTRB1 P17538 5/20 0.49
PRSS1 P07477 4/20 0.49
CMA1 P23946 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
ACACB O00763 1/20 0.46
HSP90AA1 P07900 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL8064600 0.92 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8072727 0.91 PRSS1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8063328 0.90 PRSS1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8072888 0.90 PRSS1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8972788 0.84 RAB9A (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7696991 0.82 TAS1R3 (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1185757 0.81 RAB9A (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1003282 0.81 RAB9A (0.82) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7697169 0.81 MLYCD (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8972504 0.80 RAB9A (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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 2 patents. 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
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 disclosed