SCHEMBL7550706

SCHEMBL7550706

[N-]=[N+]=CC(=O)[C@H](Cc1ccccc1)OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SRR Q9GZT4 3/20 0.46
ACE P12821 1/20 0.40
EPHX1 P07099 1/20 0.40
PSAT1 Q9Y617 1/20 0.39
ALPI P09923 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
PPARG P37231 9/20 0.39
PPARA Q07869 8/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC15A1 P46059 1/20 0.38

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
SCHEMBL7550711 1.00 PKM (0.50) PKMALDH1A1SMN1; SMN2SRRACE
SCHEMBL28700053 0.86 PPARG (0.43) PKMALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL7267340 0.86 PPARG (0.39) PKMALDH1A1SMN1; SMN2EPHX1PPARG
SCHEMBL28700052 0.86 PPARG (0.43) PKMALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL7267333 0.86 PPARG (0.39) PKMALDH1A1SMN1; SMN2EPHX1PPARG
SCHEMBL7274085 0.84 PPARG (0.41) PKMALDH1A1SMN1; SMN2EPHX1PPARG
SCHEMBL7274093 0.84 PPARG (0.41) PKMALDH1A1SMN1; SMN2EPHX1PPARG
SCHEMBL7267954 0.84 LDHA (0.46) ALDH1A1EPHX1PPARGPPARACYP1A2
SCHEMBL7267958 0.84 LDHA (0.46) ALDH1A1EPHX1PPARGPPARACYP1A2
SCHEMBL7267133 0.81 ACACB (0.40) PKMALDH1A1SMN1; SMN2EPHX1PPARG

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
EP-1009750-A1 NOVEL (ALPHA-AMINOPHOSPHINO) PEPTIDE DERIVATIVES, METHOD FOR MAKING SAME AND THERAPEUTIC APPLICATIONS THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-06-21 EP disclosed
WO-1998018803-A1 NOVEL (ALPHA-AMINOPHOSPHINO) PEPTIDE DERIVATIVES, METHOD FOR MAKING SAME AND THERAPEUTIC APPLICATIONS THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1998-05-07 WO disclosed