SCHEMBL25428154

SCHEMBL25428154

O=C(O)/C(=C/c1ccc(O)c(O)c1)CCc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
CYP1A2 P05177 3/20 0.49
SOX18 P35713 1/20 0.48
APP P05067 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
DNM1 Q05193 1/20 0.43
FFAR1 O14842 1/20 0.42
EGFR P00533 3/20 0.42
ALOX15 P16050 3/20 0.42
MEN1 O00255 2/20 0.42
GMNN O75496 2/20 0.42
ERBB2 P04626 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL1893128 0.88 ALOX15 (0.52) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL16429426 0.88 ALOX15 (0.52) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL15263105 0.88 ALOX15 (0.52) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL25424006 0.85 PTGES (0.49) PDPK1CYP1A2SOX18ALDH1A1FFAR1
SCHEMBL25296090 0.82 EGFR (0.46) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL25301865 0.82 ALOX15 (0.51) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL25263708 0.81 IGF1R (0.55) MAPTPOLBGAAHTTFFAR1
SCHEMBL25300688 0.80 ALOX15 (0.54) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL25261511 0.79 ALOX15 (0.56) CYP1A2APPKDM4EALDH1A1MAPT
SCHEMBL25255253 0.78 ALOX15 (0.55) CYP1A2APPKDM4EALDH1A1MAPT

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
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP claimed