SCHEMBL9389239

SCHEMBL9389239

O=C(Oc1ccc(Cl)cc1Cl)c1ccccc1C(=O)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 1/20 0.56
MRGPRX4 Q96LA9 4/20 0.54
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
MAPT P10636 4/20 0.50
PTK2B Q14289 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CHRM1 P11229 1/20 0.48
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPARA Q07869 1/20 0.47
GAA P10253 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL8210159 0.90 ESR1 (0.58) KMT2AMEN1MRGPRX4ESR1ESR2
SCHEMBL17010756 0.89 CHRM1 (0.56) KMT2AMEN1MRGPRX4ESR1ESR2
SCHEMBL8207859 0.84 MRGPRX4 (0.55) KMT2AMEN1MRGPRX4MAPTTP53
SCHEMBL10602875 0.81 PTK2B (0.70) KMT2AESR1ESR2MAPTPTK2B
SCHEMBL30225290 0.79 TDP1 (0.56) KMT2AMEN1MRGPRX4MAPTTP53
SCHEMBL31572520 0.79 TDP1 (0.56) KMT2AMEN1MRGPRX4MAPTTP53
SCHEMBL123483 0.79 TDP1 (0.56) KMT2AMEN1MRGPRX4MAPTTP53
SCHEMBL618918 0.79 TDP1 (0.56) KMT2AMEN1MRGPRX4MAPTTP53
SCHEMBL9169328 0.78 KMT2A (0.42) KMT2AMEN1ESR1ESR2MAPT
SCHEMBL22961544 0.78 JMJD7 (0.47) KMT2AMEN1MRGPRX4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276202-A Stabilization of peroxides with phlegmatization agent with polyesters for plasticizing PHILLIPS PETROLEUM COMPANY (US) 1994-01-04 US claimed
WO-1994018830-A1 ORGANIC PEROXIDE COMPOSITIONS AND PROCESS THEREFOR AZTEC PEROXIDES, INC. (US) 1994-09-01 WO disclosed
US-5276202-A Stabilization of peroxides with phlegmatization agent with polyesters for plasticizing PHILLIPS PETROLEUM COMPANY (US) 1994-01-04 US disclosed
US-3968198-A IODINE ISOCYANATE BRIDGESTONE TIRE COMPANY LIMITED (JA) 1976-07-06 US disclosed