SCHEMBL30240113

SCHEMBL30240113

CCCCCCCC(=O)C=Cc1ccc(O)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.82
▸ APP P05067 5/20 0.73
▸ CYP2D6 P10635 3/20 0.72
▸ ALOX5 P09917 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ MAOB P27338 3/20 0.72
▸ BACE1 P56817 3/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ TOP2A P11388 2/20 0.72
▸ ABCB1 P08183 2/20 0.72
▸ AKR1B1 P15121 2/20 0.72
▸ MAOA P21397 2/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ NFKB1 P19838 2/20 0.72
▸ HSD11B1 P28845 2/20 0.72
▸ STAT3 P40763 2/20 0.72
▸ NFKB2 Q00653 2/20 0.72
▸ RELA Q04206 2/20 0.72

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
SCHEMBL2840285 1.00 HTR1A (0.82) HTR1AAPPCYP2D6ALOX5MAPT
SCHEMBL2840282 1.00 HTR1A (0.82) HTR1AAPPCYP2D6ALOX5MAPT
SCHEMBL20668211 1.00 HTR1A (0.82) HTR1AAPPCYP2D6ALOX5MAPT
SCHEMBL27927798 0.95 HTR1A (0.77) HTR1AAPPCYP2D6ALOX5MAPT
Curcumin SCHEMBL28117506 0.93 APP (0.84) HTR1AAPPCYP2D6ALOX5MAPT
Curcumin SCHEMBL25240986 0.92 HTR1A (0.73) HTR1AAPPCYP2D6ALOX5MAPT
Curcumin SCHEMBL25245838 0.92 HTR1A (0.73) HTR1AAPPCYP2D6ALOX5MAPT
Curcumin SCHEMBL25247326 0.92 HTR1A (0.73) HTR1AAPPCYP2D6ALOX5MAPT
Curcumin SCHEMBL25287577 0.92 HTR1A (0.73) HTR1AAPPCYP2D6ALOX5MAPT
Curcumin SCHEMBL25285963 0.92 HTR1A (0.73) HTR1AAPPCYP2D6ALOX5MAPT

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-112457192-B Synthetic method of paradol 桂林理工大学 2023-03-14 — — CN disclosed
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