SCHEMBL3148795

SCHEMBL3148795

Nc1ccc(C(=O)CCC(=O)O)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 3/20 0.52
FFAR1 O14842 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP5 P45974 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
HDAC3 O15379 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
SCHEMBL11803691 0.87 NR4A2 (0.57) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL11632016 0.85 KMT2A (0.50) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL11636679 0.84 KMT2A (0.49) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL10708232 0.84 ALDH1A1 (0.50) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL10764064 0.84 KMT2A (0.58) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL2875993 0.84 USP5 (0.49) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL11352711 0.84 MAPT (0.59) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL11341726 0.84 KMT2A (0.49) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL28322888 0.82 KMT2A (0.47) NR4A2KMT2ACYP1A2FFAR1LMNA
SCHEMBL9206685 0.81 HSD17B3 (0.55) KMT2ARAB9ASMN1; SMN2ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347950-B1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF GAMMA-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES UNIV LOUIS PASTEUR ETABLISSEME (FR) 2010-02-17 EP disclosed
EP-1347950-A1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF GAMMA-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES Université Louis Pasteur, (Etablissement public à caractère scientifique, culturel et professionnel) (FR) 2003-10-01 EP disclosed
WO-2002042250-A1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF η-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2002-05-30 WO disclosed