SCHEMBL25255448

SCHEMBL25255448

O=C(O)/C(=C/c1ccc(Cl)c(Cl)c1)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
PDPK1 O15530 1/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARG P37231 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
GPR183 P32249 1/20 0.43
G6PC1 P35575 1/20 0.43
HPGD P15428 1/20 0.42
DPEP1 P16444 1/20 0.42
KEAP1 Q14145 1/20 0.42
FFAR1 O14842 2/20 0.41
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL584959 0.81 CYP3A4 (0.68) CYP3A4CYP2C9PTGESALOX5PPARG
SCHEMBL19437161 0.81 CYP3A4 (0.68) CYP3A4CYP2C9PTGESALOX5PPARG
SCHEMBL19437149 0.81 CYP3A4 (0.68) CYP3A4CYP2C9PTGESALOX5PPARG
SCHEMBL15263105 0.81 ALOX15 (0.52) CYP3A4CYP2C9ALOX5HPGDMEN1
SCHEMBL25424006 0.81 PTGES (0.49) PDPK1CYP3A4CYP2C9PTGESALOX5
SCHEMBL16429426 0.81 ALOX15 (0.52) CYP3A4CYP2C9ALOX5HPGDMEN1
SCHEMBL1893128 0.81 ALOX15 (0.52) CYP3A4CYP2C9ALOX5HPGDMEN1
SCHEMBL25256792 0.79 CYP3A4 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4CYP3A4
SCHEMBL25301706 0.78 ALDH1A1 (0.56) CYP3A4CYP2C9PTGESALOX5PPARG
SCHEMBL25259728 0.78 ALOX5 (0.54) CYP3A4CYP2C9PTGESALOX5PPARG

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