SCHEMBL9711326

SCHEMBL9711326

CCc1cccc(CC)c1N(CC(=O)O)C(=O)CCl.CCc1cccc(CC)c1N(CC(=O)O)C(=O)CCl.COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1.COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
RNF4 P78317 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1I2 O75469 1/20 0.43
MTNR1B P49286 5/20 0.41
MTNR1A P48039 2/20 0.41
NPY5R Q15761 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL131683 0.78 TP53 (0.66) TP53TDP1MEN1KMT2ANR1I2
SCHEMBL3695063 0.78 TP53 (0.66) TP53TDP1MEN1KMT2ANR1I2
Ether SCHEMBL11040576 0.76 TP53 (0.63) TP53RNF4TDP1MEN1KMT2A
SCHEMBL55713 0.74 NPC1 (0.61) TP53MEN1KMT2AMTNR1BMTNR1A
SCHEMBL8538067 0.74 NPC1 (0.61) TP53MEN1KMT2AMTNR1BMTNR1A
SCHEMBL7088596 0.71 NPC1 (0.66) TP53NPC1RAB9A
SCHEMBL11659986 0.71 TP53 (0.62) TP53TDP1MEN1KMT2ANR1I2
SCHEMBL11653949 0.70 TP53 (0.66) TP53RNF4TDP1MEN1KMT2A
SCHEMBL11161883 0.70 MTNR1B (0.74) TP53MTNR1BMTNR1AALDH1A1
SCHEMBL11787571 0.69 RNF4 (0.63) RNF4MTNR1BMTNR1AALDH1A1NPC1

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-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed