SCHEMBL8946464

SCHEMBL8946464

CCOC(=O)C(CCC(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
NPC1 O15118 2/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 3/20 0.49
MMP8 P22894 1/20 0.44
MDM2 Q00987 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NR4A2 P43354 1/20 0.43
PIN1 Q13526 1/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13998335 0.88 TDP1 (0.49) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL12003491 0.86 MEN1 (0.53) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL27871605 0.86 MEN1 (0.53) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL28573266 0.85 TDP1 (0.47) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL9183767 0.85 CTNNB1 (0.52) KMT2ANPC1MEN1TDP1MAPT
SCHEMBL973673 0.84 KMT2A (0.69) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL27393325 0.83 TDP1 (0.57) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL5450997 0.82 MEN1 (0.56) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL10474638 0.82 TDP1 (0.56) KMT2ANPC1MEN1TDP1MMP8
SCHEMBL8702350 0.82 MDM2 (0.51) KMT2ANPC1MEN1TDP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
CN-1109052-A Pyrimidine and pyridine derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1995-09-27 CN disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed