SCHEMBL31490455

SCHEMBL31490455

C=CCc1cc(OC)c(O)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 3/20 0.54
ALOX5 P09917 2/20 0.54
AR P10275 1/20 0.54
PTGS1 P23219 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
ALOX15 P16050 2/20 0.46
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
CNR2 P34972 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 1/20 0.43
TRPA1 O75762 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL11102731 1.00 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL28318476 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL30666305 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL15269320 0.86 CYP3A4 (0.57) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL3486415 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL7082501 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL31490365 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL27933598 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL28039709 0.81 ALOX5 (0.53) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL13387030 0.80 HMGCR (0.56) ALDH1A1CYP3A4ALOX5ARPTGS1

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-119923382-A Bio-based surfactants and antioxidants 布鲁姆生物可再生能源公司 2025-05-02 CN disclosed