SCHEMBL30128773

SCHEMBL30128773

CCCCCCC=CC=[N+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
EPHX2 P34913 4/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
FASN P49327 1/20 0.37
PPARA Q07869 1/20 0.37
KCNH2 Q12809 2/20 0.37
DNM1 Q05193 1/20 0.36

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
SCHEMBL30128893 1.00 FAAH (0.43) FAAHEPHX2CNR1CNR2SOAT2
SCHEMBL30128676 1.00 FAAH (0.43) FAAHEPHX2CNR1CNR2SOAT2
SCHEMBL29185813 1.00 FAAH (0.43) FAAHEPHX2CNR1CNR2SOAT2
SCHEMBL29185849 0.98 FAAH (0.41) FAAHEPHX2CNR1CNR2SOAT2
SCHEMBL30128674 0.98 FAAH (0.41) FAAHEPHX2CNR1CNR2SOAT2
SCHEMBL30151581 0.82 EPHX2 (0.36) FAAHEPHX2CNR1CNR2PPARA
SCHEMBL29185782 0.82 EPHX2 (0.36) FAAHEPHX2CNR1CNR2PPARA
SCHEMBL30151576 0.82 EPHX2 (0.36) FAAHEPHX2CNR1CNR2PPARA
SCHEMBL30151598 0.82 EPHX2 (0.36) FAAHEPHX2CNR1CNR2PPARA
SCHEMBL30128875 0.81 EPHX2 (0.40) FAAHEPHX2CNR1CNR2KCNH2

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-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN disclosed
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed