SCHEMBL31533014

SCHEMBL31533014

COc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.66
ACHE P22303 8/20 0.66
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TRPV1 Q8NER1 3/20 0.60
ROCK2 O75116 2/20 0.57

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
SCHEMBL31533017 0.91 ACHE (0.72) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL31532989 0.88 ACHE (0.71) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL31532988 0.87 GPR183 (0.73) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL31533012 0.87 GPR183 (0.73) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL31532986 0.87 ACHE (0.71) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL28632925 0.87 ALDH1A1 (0.66) GPR183ACHEALDH1A1KDM4E
SCHEMBL31532990 0.87 KDM4E (0.84) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL31533002 0.87 KDM4E (0.84) GPR183ACHEALDH1A1KDM4ETRPV1
SCHEMBL28651379 0.87 ALDH1A1 (0.63) GPR183ACHEALDH1A1KDM4E
SCHEMBL31532997 0.86 KDM4E (0.75) GPR183ACHEALDH1A1KDM4ETRPV1

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-119930543-A Preparation method of novel ferulic acid derivative containing sulfonamide structure and application of ferulic acid derivative in agriculture 贵州工业职业技术学院 2025-05-06 CN disclosed