SCHEMBL4592142

SCHEMBL4592142

O=C(OCCCCCO)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 1/20 0.52
BCHE P06276 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
PARP1 P09874 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
SLC7A5 Q01650 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL3655402 0.98 TDP1 (0.54) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL810857 0.94 TDP1 (0.59) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL811440 0.92 TDP1 (0.61) TDP1RAB9ABCHEL3MBTL1ALDH1A1
SCHEMBL3877623 0.89 TDP1 (0.61) TDP1RAB9AALDH1A1CYP4F2CYP4A11
SCHEMBL21143362 0.89 TDP1 (0.61) TDP1RAB9AALDH1A1CYP4F2CYP4A11
SCHEMBL1104296 0.87 TDP1 (0.63) TDP1RAB9ACYP4F2CYP4A11HDAC6
SCHEMBL28807886 0.87 LMNA (0.58) TDP1RAB9AALDH1A1LMNAESR1
SCHEMBL28437780 0.87 LMNA (0.58) TDP1RAB9AALDH1A1LMNAESR1
SCHEMBL30692290 0.87 LMNA (0.58) TDP1RAB9AALDH1A1LMNAESR1
SCHEMBL6057231 0.87 LMNA (0.58) TDP1RAB9AALDH1A1LMNAESR1

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
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed