SCHEMBL8064600

SCHEMBL8064600

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
PRSS1 P07477 4/20 0.51
CTSG P08311 4/20 0.51
CTRB1 P17538 4/20 0.51
CMA1 P23946 4/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ACACB O00763 1/20 0.45
MLYCD O95822 1/20 0.44
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSH P09668 1/20 0.44
CYP1A2 P05177 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
SCHEMBL8072727 0.96 PRSS1 (0.52) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL8063328 0.95 PRSS1 (0.53) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL8072888 0.95 PRSS1 (0.53) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL8063158 0.92 RAB9A (0.57) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL7697169 0.89 MLYCD (0.46) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL7666901 0.86 MLYCD (0.44) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL7663007 0.85 MLYCD (0.51) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL7672197 0.84 MLYCD (0.50) RAB9ANPC1PRSS1CTSGCTRB1
SCHEMBL7694916 0.84 TAS1R3 (0.43) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8972788 0.82 RAB9A (0.55) RAB9ANPC1CTSGCTRB1ALDH1A1

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