SCHEMBL6287966

SCHEMBL6287966

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCCCCCCCC

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.85
KDM4E B2RXH2 1/20 0.83
ALDH1A1 P00352 2/20 0.83
HPGD P15428 2/20 0.83
TRPV1 Q8NER1 1/20 0.83
MEN1 O00255 1/20 0.83
MAPT P10636 1/20 0.83
ALOX12 P18054 1/20 0.83
BLM P54132 1/20 0.83
KMT2A Q03164 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
EPHX2 P34913 2/20 0.80
SLC6A5 Q9Y345 1/20 0.78

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
SCHEMBL15008280 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL14849281 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL31283679 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL31438092 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL15007722 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL9964253 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL31438099 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL31438097 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL6286826 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1
SCHEMBL6286194 1.00 CNR1 (0.85) CNR1KDM4EALDH1A1HPGDTRPV1

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
US-6852315-B2 Epoxidation of carbon-carbon double bond with membrane bound peroxygenase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2005-02-08 US disclosed
US-20030040090-A1 Epoxidation of carbon-carbon double bond with membrane bound peroxygenase AGRICULTURE, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY 2003-02-27 US disclosed
US-6485949-B1 Epoxidation of carbon-carbon double bond with membrane bound peroxygenase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2002-11-26 US disclosed