SCHEMBL28970950

SCHEMBL28970950

CCCc1ccc(OCc2ccccc2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.61
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALOX5 P09917 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
BCHE P06276 1/20 0.48

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
SCHEMBL1898263 0.89 MAOB (0.55) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6035603 0.87 MAOB (0.64) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL23509390 0.84 MAOB (0.61) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL13643153 0.84 CYP4F2 (0.57) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL13973146 0.84 MAOB (0.68) MAOBBCHE
SCHEMBL6293668 0.83 MAOB (0.68) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL629746 0.82 MAOB (0.66) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL10635192 0.82 FFAR1 (0.66) MAOB
SCHEMBL10635313 0.81 CYP4F2 (0.53) MAOBLMNACYP4F2CYP4A11
SCHEMBL5209521 0.81 LTA4H (0.50) ALOX5

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-115836988-A Cosmetic composition, essence milk and preparation method thereof 广东柏俐臣生物科技有限公司 2023-03-24 CN disclosed