SCHEMBL11035112

SCHEMBL11035112

O=C(OCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.68
MAOB P27338 2/20 0.62
MAOA P21397 1/20 0.62
KMT2A Q03164 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR4A1 P22736 1/20 0.60
NR4A3 Q92570 1/20 0.60
LMNA P02545 1/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MRGPRX4 Q96LA9 1/20 0.58
PARP10 Q53GL7 1/20 0.57
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL9808170 0.94 NR4A2 (0.71) NR4A2MAOBMAOAKMT2ANPC1
SCHEMBL9574756 0.93 KMT2A (0.71) NR4A2MAOBKMT2ASLC6A2SLC6A3
SCHEMBL50807 0.91 KMT2A (0.73) NR4A2MAOBKMT2ASLC6A2SLC6A3
SCHEMBL1944115 0.90 KMT2A (0.77) NR4A2MAOBKMT2ASLC6A2SLC6A3
SCHEMBL2705832 0.89 KMT2A (0.76) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL10611772 0.88 KMT2A (0.73) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL29193169 0.87 LMNA (0.81) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6029175 0.87 SLC6A2 (0.67) NR4A2MAOBKMT2ASLC6A2SLC6A3
SCHEMBL5836718 0.87 SLC6A2 (0.67) NR4A2MAOBKMT2ASLC6A2SLC6A3
SCHEMBL2357688 0.86 KMT2A (0.76) NR4A2KMT2ASLC6A2SLC6A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59101393-A None JP disclosed
JP-S59101393-A HEAT-SENSITIVE RECORDING SHEET MITSUBISHI PAPER MILLS LTD 1984-06-11 JP disclosed