SCHEMBL31494239

SCHEMBL31494239

CC=Cc1ccc(OC)c(O)c1CCCC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.46
PTGS2 P35354 4/20 0.43
HMGCR P04035 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TYR P14679 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL7536824 1.00 ALOX5 (0.46) ALOX5PTGS2HMGCRCYP3A4ALDH1A1
SCHEMBL29373655 0.84 CYP3A4 (0.42) ALOX5HMGCRCYP3A4ALDH1A1TYR
SCHEMBL26046486 0.84 CYP3A4 (0.42) ALOX5HMGCRCYP3A4ALDH1A1TYR
SCHEMBL18035640 0.81 ALOX5 (0.44) ALOX5TYRGABRA1GABRB2
SCHEMBL5111354 0.79 ALOX5 (0.52) ALOX5PTGS2ALDH1A1
SCHEMBL15914612 0.77 ALOX5 (0.50) ALOX5TYR
SCHEMBL292318 0.76 ALOX5 (0.57) ALOX5PTGS2TYR
SCHEMBL26046432 0.76 CYP3A4 (0.48) ALOX5HMGCRCYP3A4ALDH1A1TYR
SCHEMBL7273581 0.74 ERN1 (0.51) ALDH1A1TYR
SCHEMBL30785407 0.73 HMGCR (0.46) HMGCRCYP3A4TYR

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-119745978-A Novel preparation of freckle-removing and granulation-promoting ointment based on microemulsion technology and preparation method thereof 南方医科大学 2025-04-04 CN claimed
CN-119745978-A Novel preparation of freckle-removing and granulation-promoting ointment based on microemulsion technology and preparation method thereof 南方医科大学 2025-04-04 CN disclosed