SCHEMBL9016461

SCHEMBL9016461

CON=CC(Oc1ccc(N)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 2/20 0.34
NR4A1 P22736 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP10 Q53GL7 2/20 0.33
LDHA P00338 2/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9016505 0.86 PPARG (0.41) PPARGPPARATDP1MAPK1ALDH1A1
SCHEMBL9016500 0.86 PPARG (0.41) PPARGPPARATDP1MAPK1ALDH1A1
SCHEMBL9016513 0.85 ADAMTS4 (0.37) PPARGPPARAALDH1A1CYP1A2GAA
SCHEMBL9016533 0.80 MEN1 (0.46) TDP1ALDH1A1CYP1A2SMN1; SMN2KMT2A
SCHEMBL9016432 0.80 MEN1 (0.44) MAPK1ALDH1A1CYP3A4GAASMN1; SMN2
SCHEMBL9016470 0.77 CYP3A4 (0.44) CYP3A4KMT2ANPC1POLB
SCHEMBL655457 0.70 CYP1A2 (0.65) PPARGPPARATDP1ALDH1A1CYP1A2
SCHEMBL28584562 0.70 CYP1A2 (0.65) PPARGPPARATDP1ALDH1A1CYP1A2
SCHEMBL3209492 0.68 PARP10 (0.42) PPARGPPARATDP1MAPK1ALDH1A1
SCHEMBL1163280 0.66 PARP10 (0.41) PPARGPPARATDP1MAPK1ALDH1A1

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
US-5574153-A BACTERICIDES ACS DOBFAR S.P.A. (IT) 1996-11-12 US disclosed
EP-0638574-A1 Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR S.p.A. (IT) 1995-02-15 EP disclosed