SCHEMBL8467778

SCHEMBL8467778

O=C(Oc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.62
CES1 P23141 5/20 0.62
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
ELANE P08246 3/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PARP10 Q53GL7 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
BCHE P06276 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11322862 0.90 CES2 (0.56) CES2CES1L3MBTL1ELANEPARP10
SCHEMBL2721319 0.86 CES2 (0.56) CES2CES1L3MBTL1LMNAELANE
SCHEMBL4425652 0.81 PARP10 (0.65) CES2CES1L3MBTL1PARP10SMN1; SMN2
SCHEMBL7063178 0.80 ELANE (0.50) CES2CES1CYP11B1CYP11B2ELANE
Ethylene Glycol SCHEMBL16044458 0.79 CES2 (0.48) CES2CES1L3MBTL1ELANEPARP10
SCHEMBL8663497 0.78 MEN1 (0.47) CYP11B1CYP11B2L3MBTL1LMNAELANE
SCHEMBL912515 0.78 CES2 (1.00) CES2CES1L3MBTL1
SCHEMBL7169078 0.77 MAPT (0.57) CES2CES1L3MBTL1ELANEKDM4E
SCHEMBL14367095 0.77 ALDH1A1 (0.51) CES2CES1CYP11B1CYP11B2L3MBTL1
SCHEMBL16045102 0.76 ELANE (0.47) CES2CES1L3MBTL1LMNAELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed
US-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed
CN-1128782-C Catalyst for decarbonylation reaction UBE INDUSTRIES (JP) 2003-11-26 CN disclosed
US-5892091-A PHOSPHOROUS CATALYSTS AND HALOGEN ATOMS UBE INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
CN-1179414-A Catalyst for decarbonylation reaction UBE INDUSTRIES (JP) 1998-04-22 CN disclosed
EP-0826658-A1 Catalyst for decarbonylation reaction UBE INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed