SCHEMBL31040565

SCHEMBL31040565

CCCCCC/C=C\CCCCCCCCCc1cc(OC)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.64
▸ CNR2 P34972 2/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ PPARA Q07869 3/20 0.52
▸ PPARG P37231 1/20 0.49
▸ GPR84 Q9NQS5 1/20 0.49
▸ FUT7 Q11130 1/20 0.49
▸ FAAH O00519 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47

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
SCHEMBL5273078 1.00 CNR1 (0.64) CNR1CNR2PTGS2PPARAPPARG
SCHEMBL31040560 1.00 CNR1 (0.64) CNR1CNR2PTGS2PPARAPPARG
SCHEMBL5273071 1.00 CNR1 (0.64) CNR1CNR2PTGS2PPARAPPARG
SCHEMBL5320009 0.90 CNR1 (0.54) CNR1CNR2PTGS2PPARAFAAH
SCHEMBL5320004 0.90 CNR1 (0.54) CNR1CNR2PTGS2PPARAFAAH
SCHEMBL18586439 0.89 PTGS2 (0.73) CNR1CNR2PTGS2GPR84FUT7
SCHEMBL31185832 0.89 PTGS2 (0.73) CNR1CNR2PTGS2GPR84FUT7
SCHEMBL31185803 0.89 PTGS2 (0.73) CNR1CNR2PTGS2GPR84FUT7
SCHEMBL31185907 0.89 PTGS2 (0.73) CNR1CNR2PTGS2GPR84FUT7
SCHEMBL1171756 0.88 PTGS2 (0.76) CNR1CNR2PTGS2GPR84FUT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684569-A Synthesis process of irisquinone A 内蒙古医科大学 2024-09-24 — — CN disclosed
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