SCHEMBL9016533

SCHEMBL9016533

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 5/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NAPRT Q6XQN6 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
SCHEMBL9016500 0.81 PPARG (0.41) KMT2ASMN1; SMN2LMNACYP1A2TDP1
SCHEMBL9016505 0.81 PPARG (0.41) KMT2ASMN1; SMN2LMNACYP1A2TDP1
SCHEMBL9016461 0.80 PPARG (0.36) KMT2ASMN1; SMN2LMNACYP1A2TDP1
SCHEMBL9016513 0.78 ADAMTS4 (0.37) MEN1KMT2ASMN1; SMN2LMNACYP1A2
SCHEMBL9016432 0.76 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6391225 0.73 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNACYP1A2
SCHEMBL9016470 0.72 CYP3A4 (0.44) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL6783366 0.71 GLA (0.71) MEN1KMT2ASMN1; SMN2LMNACYP1A2
SCHEMBL6076761 0.70 RAB9A (0.59) MEN1KMT2ASMN1; SMN2LMNATDP1
SCHEMBL6076757 0.70 RAB9A (0.59) MEN1KMT2ASMN1; SMN2LMNATDP1

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