SCHEMBL8626149

SCHEMBL8626149

CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
THRB P10828 1/20 0.52
TRPV1 Q8NER1 1/20 0.45
POLB P06746 2/20 0.41
ICMT O60725 2/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 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
4-Nitrobenzoic Acid SCHEMBL8645150 0.96 MAPT (0.48) MAPTTHRBTRPV1POLBICMT
SCHEMBL8855946 0.89 ICMT (0.48) MAPTTHRBTRPV1POLBICMT
SCHEMBL8621083 0.88 MAPT (0.55) MAPTTHRBPOLBICMTADRB2
SCHEMBL8618525 0.86 TRPV1 (0.50) MAPTTRPV1LMNAFNTAFNTB
SCHEMBL8618289 0.85 TRPV1 (0.49) TRPV1FNTAFNTBMAOB
SCHEMBL8622892 0.84 TRPV1 (0.48) TRPV1LMNAFNTAFNTB
SCHEMBL6445161 0.84 TRPV1 (0.47) MAPTTRPV1POLBICMTMAPK1
SCHEMBL8619801 0.83 TRPV1 (0.46) MAPTTRPV1MAPK1FNTAFNTB
SCHEMBL8622897 0.83 TRPV1 (0.49) TRPV1ICMTFNTAFNTB
SCHEMBL8625198 0.82 TRPV1 (0.46) MAPTTRPV1POLBICMTMAPK1

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-0711749-B1 Process for producing geranylgeraniol KURARAY CO (JP) 1998-05-20 EP disclosed
US-5663461-A HYDROLYSIS OF ESTER KURARAY CO., LTD. (JP) 1997-09-02 US disclosed
EP-0711749-A1 Process for producing geranylgeraniol KURARAY CO., LTD. (JP) 1996-05-15 EP disclosed