SCHEMBL3143262

SCHEMBL3143262

Nc1ccc(C(=O)CCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.46
CASP6 P55212 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL3143253 1.00 LMNA (0.67) LMNAKMT2AMAPTMEN1TDP1
SCHEMBL28126129 0.91 LMNA (0.63) LMNAKMT2AMAPTMEN1TDP1
SCHEMBL11230506 0.85 LMNA (0.62) LMNAKMT2AMAPTMEN1TDP1
SCHEMBL11703945 0.83 TSHR (0.49) LMNAKMT2AMAPTALDH1A1ALOX15
SCHEMBL8508773 0.82 LMNA (0.59) LMNAKMT2AMAPTMEN1TDP1
SCHEMBL7399156 0.82 ALDH1A1 (0.47) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL15505486 0.82 TSHR (0.67) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL2875677 0.82 VCAM1 (0.64) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL101549 0.82 CASP6 (0.46) LMNAKMT2AMAPTALDH1A1TSHR
SCHEMBL15088714 0.81 LMNA (0.66) LMNAKMT2AMAPTMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110117257-B P2Y12 receptor antagonist containing guanidyl as well as preparation method and application thereof 安徽省新星药物开发有限责任公司 2022-12-06 CN disclosed
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