SCHEMBL8767652

SCHEMBL8767652

O=C(O)Cc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.63
LTB4R2 Q9NPC1 3/20 0.63
PLA2G4B P0C869 2/20 0.63
FFAR1 O14842 4/20 0.61
SRD5A2 P31213 1/20 0.60
KCNA3 P22001 1/20 0.59
AKR1B1 P15121 1/20 0.57
ALOX15 P16050 1/20 0.56
LTA4H P09960 2/20 0.55
ABCC4 O15439 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
PTGS1 P23219 1/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.55
PPARA Q07869 1/20 0.54

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
SCHEMBL9517972 0.96 LTB4R (0.63) LTB4RLTB4R2PLA2G4BFFAR1SRD5A2
SCHEMBL11684213 0.94 PLA2G4B (0.69) LTB4RLTB4R2PLA2G4BFFAR1AKR1B1
SCHEMBL11683055 0.88 PLA2G4B (0.61) LTB4RLTB4R2PLA2G4BFFAR1SRD5A2
SCHEMBL8219005 0.86 PLA2G4B (0.83) PLA2G4BLMNATSHR
SCHEMBL7750520 0.86 PLA2G4B (0.60) LTB4RLTB4R2PLA2G4BFFAR1SRD5A2
SCHEMBL3334872 0.86 FFAR1 (0.76) LTB4RLTB4R2FFAR1AKR1B1ALOX15
SCHEMBL11597039 0.85 PLA2G4B (0.59) LTB4RLTB4R2PLA2G4BFFAR1SRD5A2
SCHEMBL1285778 0.85 PLA2G4B (0.77) PLA2G4BLMNATSHR
SCHEMBL10728695 0.85 PLA2G4B (0.59) LTB4RLTB4R2PLA2G4BFFAR1LTA4H
SCHEMBL1162418 0.85 PLA2G4B (0.59) LTB4RLTB4R2PLA2G4BFFAR1SRD5A2

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed