SCHEMBL8772123

SCHEMBL8772123

CCOC(=O)/C=C/C=C/c1cccc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
PTGS2 P35354 1/20 0.39
BACE1 P56817 3/20 0.39
CNR2 P34972 1/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL8891484 1.00 MAOB (0.43) MAOBMAOATTRDPP4CA12
SCHEMBL8772163 0.80 CCNB2 (0.44) MAOBMAOABACE1ALOX5LMNA
SCHEMBL9626381 0.80 BACE1 (0.35) MAOBMAOABACE1KDM4EALDH1A1
SCHEMBL8772134 0.79 CYP4F2 (0.36) MAOBMAOABACE1KDM4EALDH1A1
SCHEMBL24845153 0.76 ESR1 (0.50) MAOBTTRDPP4CA12CA1
SCHEMBL20298754 0.76 LCK (0.44) MAOBMAOABACE1KDM4EALDH1A1
SCHEMBL8891530 0.75 APP (0.51) BACE1ALOX5KDM4EALDH1A1
SCHEMBL8891538 0.75 APP (0.51) BACE1ALOX5KDM4EALDH1A1
Alcohol SCHEMBL9337072 0.75 MAOA (0.43) MAOBMAOABACE1NPC1RAB9A
SCHEMBL24844876 0.75 CA12 (0.52) MAOBTTRDPP4CA12CA1

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-0801061-A2 Leucotrien-B4 derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-15 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed