SCHEMBL27675421

SCHEMBL27675421

CCC(=O)[CH]c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ GABRA1 P14867 2/20 0.50
▸ GABRB2 P47870 2/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL11481925 0.84 TRPM8 (0.68) TRPM8ALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL11481924 0.84 TRPM8 (0.68) TRPM8ALDH1A1HSD17B10KDM4ECYP1A2
Hydrochloric Acid SCHEMBL27699758 0.83 TRPM8 (0.67) TRPM8ALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL10840510 0.77 CYP1A2 (0.59) TRPM8ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL15238959 0.77 CYP1A2 (0.59) TRPM8ALDH1A1HSD17B10TDP1KDM4E
Piperonal SCHEMBL5839673 0.77 ALDH1A1 (0.79) TRPM8ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL406395 0.75 ALDH1A1 (0.66) TRPM8ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL17691541 0.75 MAPT (0.71) TRPM8ALDH1A1HSD17B10KDM4ECYP3A4
SCHEMBL25608264 0.75 CYP3A4 (0.53) TRPM8ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL5497313 0.75 ALDH1A1 (0.56) TRPM8ALDH1A1HSD17B10TDP1KDM4E

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-1907980-A Method for synthesizing dihydrosafrole GUIYANG HAIFENG FINE CHEMICAL (CN) 2007-02-07 — — CN claimed
CN-1907980-A Method for synthesizing dihydrosafrole GUIYANG HAIFENG FINE CHEMICAL (CN) 2007-02-07 — — CN disclosed
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