SCHEMBL9016513

SCHEMBL9016513

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.37
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
KIF11 P52732 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PARP10 Q53GL7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.32
LDHA P00338 1/20 0.32
ALDH1A1 P00352 3/20 0.31
ACR P10323 2/20 0.31
LMNA P02545 2/20 0.31
HGFAC Q04756 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL9016461 0.85 PPARG (0.36) PPARGPPARAKMT2APARP10SMN1; SMN2
SCHEMBL9016500 0.83 PPARG (0.41) PPARGPPARAKMT2ASMN1; SMN2GAA
SCHEMBL9016505 0.83 PPARG (0.41) PPARGPPARAKMT2ASMN1; SMN2GAA
SCHEMBL9016533 0.78 MEN1 (0.46) KMT2AMEN1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL9016432 0.78 MEN1 (0.44) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL9016470 0.74 CYP3A4 (0.44) KMT2AMEN1NPC1POLB
SCHEMBL28438921 0.69 PARP10 (0.66) ADAMTS4KIF11KMT2AMEN1PARP10
SCHEMBL6284986 0.68 KMT2A (0.64) ADAMTS4KIF11KMT2AMEN1PARP10
SCHEMBL731242 0.66 CA1 (0.61) KIF11KMT2AMEN1PARP10SMN1; SMN2
SCHEMBL6189783 0.66 ALOX15 (0.52) KIF11KMT2AMEN1PARP10PKM

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