SCHEMBL28877162

SCHEMBL28877162

CCCCCOc1cc(O)cc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.49
▸ PGAM1 P18669 1/20 0.48
▸ PTGS2 P35354 3/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ NR5A1 Q13285 1/20 0.47
▸ GPR84 Q9NQS5 2/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ SMPD1 P17405 1/20 0.44

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
SCHEMBL1954870 0.82 ALOX5 (0.47) ALOX5PGAM1PTGS2
SCHEMBL22011779 0.80 PGAM1 (0.45) ALOX5PGAM1PTGS2NR5A1GPR84
SCHEMBL30528065 0.79 SMPD1 (0.57) ALOX5ESR1NR5A1LTA4HSMPD1
SCHEMBL1405908 0.79 SMPD1 (0.57) ALOX5ESR1NR5A1LTA4HSMPD1
SCHEMBL19433097 0.79 NR5A1 (0.55) ALOX5ESR1NR5A1GPR84LTA4H
SCHEMBL19231712 0.79 ESR1 (0.46) ALOX5ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL28095186 0.78 NR5A1 (0.58) ALOX5ESR1NR5A1GPR84LTA4H
SCHEMBL14557522 0.78 SMPD1 (0.60) ALOX5ESR1NR5A1LTA4HSMPD1
SCHEMBL11329254 0.78 SMPD1 (0.60) ALOX5ESR1NR5A1LTA4HSMPD1
SCHEMBL11871738 0.78 SMPD1 (0.55) ALOX5ESR1AKR1C4AKR1C3AKR1C2

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-115260380-A Catechol modified acrylic resin with water hydroformylation function, emulsion paint and preparation method thereof 三棵树涂料股份有限公司 2022-11-01 — — CN disclosed
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