SCHEMBL8072402

SCHEMBL8072402

CCCCCCCOC(=O)CC(C)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 1/20 0.53
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PRSS1 P07477 3/20 0.49
CTSG P08311 3/20 0.49
CTRB1 P17538 3/20 0.49
CMA1 P23946 3/20 0.49
NAAA Q02083 1/20 0.49
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PLK1 P53350 1/20 0.46
SMPD1 P17405 3/20 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
SCHEMBL8063792 1.00 PPARG (0.53) PPARGPPARARAB9AALDH1A1PRSS1
SCHEMBL8076395 1.00 PPARG (0.53) PPARGPPARARAB9AALDH1A1PRSS1
SCHEMBL8424812 0.89 PPARG (0.52) PPARGPPARARAB9AALDH1A1NAAA
SCHEMBL7666886 0.88 PPARG (0.51) PPARGPPARARAB9AALDH1A1NPC1
SCHEMBL7685263 0.87 ATM (0.54) PPARGPPARAALDH1A1HPGDLMNA
SCHEMBL7663106 0.86 PPARG (0.50) PPARGPPARARAB9AALDH1A1PRSS1
SCHEMBL7663019 0.86 PPARG (0.56) PPARGPPARARAB9ANPC1TSHR
SCHEMBL7663022 0.84 PPARG (0.47) PPARGPPARARAB9AALDH1A1PRSS1
SCHEMBL7689788 0.84 TSHR (0.50) RAB9AALDH1A1NPC1LMNATSHR
SCHEMBL8972504 0.84 RAB9A (0.57) RAB9AALDH1A1PRSS1CTSGCTRB1

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