SCHEMBL8621083

SCHEMBL8621083

CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
ICMT O60725 2/20 0.45
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8855946 0.90 ICMT (0.48) MAPTPOLBICMTTHRBNPC1
SCHEMBL8626149 0.88 MAPT (0.52) MAPTPOLBICMTADRB2ADRB1
4-Nitrobenzoic Acid SCHEMBL8645150 0.84 MAPT (0.48) MAPTPOLBICMTADRB2ADRB1
SCHEMBL6445161 0.83 TRPV1 (0.47) MAPTPOLBICMTCYP1A2CYP3A4
SCHEMBL8621087 0.80 POLB (0.60) MAPTPOLBICMTALDH1A1ADRB2
SCHEMBL8621095 0.80 POLB (0.60) MAPTPOLBICMTALDH1A1ADRB2
SCHEMBL8623311 0.80 LMNA (0.53) MAPTPOLBICMTALDH1A1THRB
SCHEMBL8620646 0.79 TRPV1 (0.42) MAPTICMTADRB2ADRB1ADRB3
SCHEMBL8625198 0.79 TRPV1 (0.46) MAPTPOLBICMTCYP1A2CYP3A4
SCHEMBL8618525 0.78 TRPV1 (0.50) MAPTALDH1A1MEN1KMT2AMAOB

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