SCHEMBL25424006

SCHEMBL25424006

O=C(O)/C(=C/c1ccc2ccccc2c1)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.49
ALOX5 P09917 2/20 0.49
PPARG P37231 2/20 0.49
PDPK1 O15530 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GPR52 Q9Y2T5 1/20 0.45
FFAR1 O14842 2/20 0.44
KEAP1 Q14145 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
RELA Q04206 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SOX18 P35713 1/20 0.41
GLO1 Q04760 1/20 0.41

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
SCHEMBL25428154 0.85 PDPK1 (0.49) PDPK1CYP1A2CYP3A4CYP2C9FFAR1
SCHEMBL28251651 0.85 PTGS2 (0.52) PTGESALOX5PPARGPDPK1CYP1A2
SCHEMBL19437161 0.82 CYP3A4 (0.68) PTGESALOX5PPARGCYP3A4CYP2C9
SCHEMBL584959 0.82 CYP3A4 (0.68) PTGESALOX5PPARGCYP3A4CYP2C9
SCHEMBL19437149 0.82 CYP3A4 (0.68) PTGESALOX5PPARGCYP3A4CYP2C9
SCHEMBL16429426 0.82 ALOX15 (0.52) ALOX5CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL1893128 0.82 ALOX15 (0.52) ALOX5CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL15263105 0.82 ALOX15 (0.52) ALOX5CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL25255448 0.81 PLAAT3 (0.50) PTGESALOX5PPARGPDPK1CYP3A4
SCHEMBL7514687 0.80 TBXAS1 (0.47) PPARGCYP3A4CYP2C9RELAGLO1

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