SCHEMBL324416

SCHEMBL324416

CCCCc1ccc(O)c(-c2ccccc2)c1CCCC.[Na].[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.46
TYR P14679 3/20 0.44
ELANE P08246 2/20 0.42
CTSG P08311 2/20 0.42
DCTPP1 Q9H773 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CNR2 P34972 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX15 P16050 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
SCHEMBL11352126 1.00 GCGR (0.46) GCGRTYRELANECTSGDCTPP1
SCHEMBL760580 0.98 GCGR (0.47) GCGRTYRELANECTSGDCTPP1
SCHEMBL11352114 0.97 GCGR (0.46) GCGRTYRELANECTSGDCTPP1
SCHEMBL984504 0.95 GCGR (0.51) GCGRTYRELANECTSGHTT
SCHEMBL985059 0.94 TYR (0.53) GCGRTYRELANECTSGHTT
SCHEMBL983831 0.94 TYR (0.53) GCGRTYRELANECTSGHTT
SCHEMBL984876 0.94 TYR (0.53) GCGRTYRELANECTSGHTT
SCHEMBL986534 0.94 TYR (0.53) GCGRTYRELANECTSGHTT
SCHEMBL981398 0.94 TYR (0.53) GCGRTYRELANECTSGHTT
SCHEMBL985582 0.94 TYR (0.53) GCGRTYRELANECTSGHTT

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 7 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
US-6235067-B1 LIQUID HYDROCARBON FUEL AND WATER SUPERCRITICAL MIXTURE EMITTER NOZZLES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US 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