SCHEMBL7094136

SCHEMBL7094136

CCOC(=O)C(C(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NTSR1 P30989 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
CYP19A1 P11511 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL7093633 0.94 MMP8 (0.52) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6908528 0.89 MMP8 (0.64) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL7090828 0.88 L3MBTL1 (0.52) MMP8NPC1KMT2ASMN1; SMN2CA12
SCHEMBL7092555 0.88 MMP8 (0.59) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL28579101 0.87 MMP8 (0.55) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL3796213 0.82 CA12 (0.48) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL8200333 0.82 MMP8 (0.55) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL7090567 0.82 MMP8 (0.52) MMP8MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL3798068 0.82 CA12 (0.53) MMP8MEN1NPC1KMT2ACA12
SCHEMBL1041533 0.81 MMP8 (0.51) MMP8MEN1NPC1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003084935-A2 DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-10-16 WO disclosed