SCHEMBL7093633

SCHEMBL7093633

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.51
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PIN1 Q13526 1/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41

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
SCHEMBL7094136 0.94 MMP8 (0.56) MMP8MEN1KMT2ANPC1CYP19A1
SCHEMBL6908528 0.89 MMP8 (0.64) MMP8MEN1KMT2ANPC1ALDH1A1
SCHEMBL7090828 0.88 L3MBTL1 (0.52) MMP8KMT2ANPC1SMN1; SMN2CES2
SCHEMBL8200333 0.88 MMP8 (0.55) MMP8MEN1KMT2ANPC1ALDH1A1
SCHEMBL1041533 0.84 MMP8 (0.51) MMP8MEN1KMT2ANPC1ALDH1A1
SCHEMBL28579101 0.84 MMP8 (0.55) MMP8MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7093345 0.84 NPC1 (0.56) MMP8MEN1KMT2ANPC1CYP19A1
SCHEMBL7095774 0.83 MMP8 (0.50) MMP8MEN1KMT2ANPC1ALDH1A1
SCHEMBL27324944 0.83 MMP8 (0.50) MMP8MEN1KMT2ANPC1ALDH1A1
SCHEMBL4064086 0.83 MMP8 (0.51) MMP8MEN1KMT2ANPC1ALDH1A1

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