SCHEMBL324414

SCHEMBL324414

CCCCc1c(O)ccc(-c2ccccc2)c1CCCC.[NaH].[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GCGR P47871 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMB5 P28074 1/20 0.40
HSD11B1 P28845 1/20 0.40
ESR2 Q92731 1/20 0.40
BACE1 P56817 2/20 0.39
ALOX5 P09917 1/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC37A4 O43826 1/20 0.39

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
SCHEMBL29925513 0.98 HPGD (0.43) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL29000465 0.98 HPGD (0.43) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL2865287 0.87 GCGR (0.44) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL2654884 0.87 PDCD1 (0.42) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL324184 0.87 BCL2L1 (0.47) HPGDALDH1A1GCGRNPC1MAPK1
SCHEMBL3215348 0.87 TYR (0.42) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL10610552 0.87 GCGR (0.41) HPGDKDM4EALDH1A1GCGRNPC1
SCHEMBL2203886 0.85 GCGR (0.47) HPGDKDM4EALDH1A1CASP1CASP7
SCHEMBL1837688 0.85 BCL2L1 (0.48) HPGDALDH1A1GCGRNPC1MAPK1
SCHEMBL28638714 0.85 MAPK1 (0.43) HPGDKDM4EALDH1A1NPC1MAPK1

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-20120167451-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-07-05 US disclosed
WO-2012006316-A1 PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION NEW GENERATION BIOFUELS HOLDINGS, INC. (US) 2012-01-12 WO disclosed
US-20100037513-A1 Biofuel Composition and Method of Producing a Biofuel NEW GENERATION BIOFUELS, INC. (US) 2010-02-18 US disclosed
EP-2010631-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL New Generation Biofuels, Inc. (US) 2009-01-07 EP disclosed
WO-2007127059-A2 BIOFUEL COMPOSITION AND METHOD OF PRODUCING A BIOFUEL NEW GENERATION BIOFUELS, INC. (US) 2007-11-08 WO disclosed
WO-1997011220-A1 METHOD OF COATING A HYDROPHOBIC FIBROUS MATERIAL WITH AN AMPHIPHILIC POLYELECTROLYTE KIMBERLY-CLARK WORLDWIDE, INC. (US) 1997-03-27 WO disclosed