SCHEMBL28668554

SCHEMBL28668554

CC/C=C\CCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1

nearest known ligand 0.96

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.96
FAAH O00519 5/20 0.96
CNR1 P21554 3/20 0.96
CNR2 P34972 1/20 0.67
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL20599319 0.98 EPHX2 (1.00) EPHX2FAAHCNR1CNR2
SCHEMBL28929877 0.97 EPHX2 (0.98) EPHX2FAAHCNR1CNR2
SCHEMBL22558582 0.93 EPHX2 (1.00) EPHX2FAAHCNR1CNR2TRPV1
SCHEMBL29639613 0.93 EPHX2 (1.00) EPHX2FAAHCNR1CNR2TRPV1
SCHEMBL22558561 0.93 EPHX2 (1.00) EPHX2FAAHCNR1CNR2TRPV1
SCHEMBL20598982 0.91 EPHX2 (1.00) EPHX2FAAHCNR1CNR2
SCHEMBL29639614 0.91 EPHX2 (1.00) EPHX2FAAHCNR1CNR2
SCHEMBL22558609 0.91 EPHX2 (1.00) EPHX2FAAHCNR1CNR2
SCHEMBL31659466 0.91 EPHX2 (0.96) EPHX2FAAHCNR1CNR2TRPV1
SCHEMBL31659445 0.91 EPHX2 (0.96) EPHX2FAAHCNR1CNR2TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113759004-A Quality evaluation method for establishing maca based on UPLC-UV-Q-TOF MS 中国中医科学院中药研究所 2021-12-07 CN claimed
CN-113759004-A Quality evaluation method for establishing maca based on UPLC-UV-Q-TOF MS 中国中医科学院中药研究所 2021-12-07 CN disclosed