SCHEMBL4599599

SCHEMBL4599599

COCCOCOc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.48
NR5A1 Q13285 1/20 0.48
APP P05067 3/20 0.45
CTNNB1 P35222 1/20 0.45
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
CALM1 P0DP23 1/20 0.40

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
SCHEMBL16305613 0.88 APP (0.57) LTA4HNR5A1APPKDM4ERECQL
SCHEMBL842057 0.88 APP (0.57) LTA4HNR5A1APPKDM4ERECQL
SCHEMBL1478767 0.88 APP (0.57) LTA4HNR5A1APPKDM4ERECQL
SCHEMBL77538 0.85 LTA4H (0.59) LTA4HNR5A1APPLMNACYP1A2
SCHEMBL17072090 0.85 ABL1 (0.50) LTA4HNR5A1CTNNB1ESR2
SCHEMBL841097 0.83 NR5A1 (0.62) LTA4HNR5A1APPLMNAKDM4E
SCHEMBL16305604 0.83 APP (0.53) LTA4HNR5A1APPESR2KDM4E
SCHEMBL1923910 0.83 LTA4H (0.54) LTA4HNR5A1APPLMNACYP1A2
SCHEMBL14595233 0.82 APP (0.46) APPCTNNB1KDM4ERECQL
SCHEMBL13645868 0.82 DRD2 (0.46) CTNNB1LMNAKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910263-A2 NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF COENZYMES, PROCESS FOR THE PREPARATION OF NOVEL INTERMEDIATES AND AN IMPROVED PROCESS FOR THE PREPARATION OF COENZYMES Nicholas Piramal India Limited (IN) 2008-04-16 EP disclosed
WO-2007004091-A2 NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF COENZYMES, PROCESS FOR THE PREPARATION OF NOVEL INTERMEDIATES AND AN IMPROVED PROCESS FOR THE PREPARATION OF COENZYMES NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-11 WO disclosed
US-5932196-A DEOXYARBUTIN DERIVATIVES, STORAGE STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-08-03 US disclosed
US-5389626-A 3-aryloxmethyl-cephalosporin derivatives, and their medical use SANKYO COMPANY, LIMITED (JP) 1995-02-14 US disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed