SCHEMBL8623311

SCHEMBL8623311

CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NFKB1 P19838 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.39
ICMT O60725 3/20 0.39
POLB P06746 2/20 0.39
GMNN O75496 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CDK2 P24941 1/20 0.39
RECQL P46063 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
SCHEMBL8619713 0.84 ICMT (0.50) LMNANFKB1MAPTICMTPOLB
SCHEMBL8626149 0.81 MAPT (0.52) LMNAKDM4EMAPTICMTPOLB
SCHEMBL8625201 0.81 ICMT (0.40) LMNANFKB1MAPTICMTPOLB
SCHEMBL8625837 0.81 ICMT (0.40) LMNANFKB1GAASMN1; SMN2MAPT
SCHEMBL6445161 0.80 TRPV1 (0.47) LMNANFKB1MAPTICMTPOLB
SCHEMBL8621083 0.80 MAPT (0.55) NPC1MAPTICMTPOLBCYP1A2
SCHEMBL8623318 0.79 KDM4E (0.58) LMNAKDM4EALDH1A1TRPV1
SCHEMBL8623312 0.79 KDM4E (0.58) LMNAKDM4EALDH1A1TRPV1
SCHEMBL8855946 0.79 ICMT (0.48) NPC1MAPTICMTPOLBTRPV1
4-Nitrobenzoic Acid SCHEMBL8645150 0.78 MAPT (0.48) LMNAKDM4EMAPTICMTPOLB

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