SCHEMBL7750520

SCHEMBL7750520

O=C(O)Cc1ccc(OCCCCBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.60
LTB4R Q15722 4/20 0.54
LTB4R2 Q9NPC1 4/20 0.54
PPARD Q03181 1/20 0.51
SRD5A2 P31213 2/20 0.50
FFAR1 O14842 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TBXAS1 P24557 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PTPN11 Q06124 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL2763189 0.95 PLA2G4B (0.57) PLA2G4BLTB4RLTB4R2PPARDSRD5A2
SCHEMBL11684213 0.91 PLA2G4B (0.69) PLA2G4BLTB4RLTB4R2FFAR1ALDH1A1
SCHEMBL5108700 0.89 PLA2G4B (0.55) PLA2G4BLTB4RLTB4R2PPARDSRD5A2
SCHEMBL8767652 0.86 LTB4R (0.63) PLA2G4BLTB4RLTB4R2SRD5A2FFAR1
SCHEMBL11683055 0.85 PLA2G4B (0.61) PLA2G4BLTB4RLTB4R2SRD5A2FFAR1
SCHEMBL9630085 0.83 GAA (0.57) PLA2G4BALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL9361466 0.83 PPARA (0.49) PLA2G4BLTB4RLTB4R2FFAR1PPARA
SCHEMBL8219005 0.83 PLA2G4B (0.83) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL1162418 0.82 PLA2G4B (0.59) PLA2G4BLTB4RLTB4R2SRD5A2FFAR1
SCHEMBL11597039 0.82 PLA2G4B (0.59) PLA2G4BLTB4RLTB4R2SRD5A2FFAR1

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
JP-2001011062-A THIAZOLE SIMULANT COMPOUND AND SKIN LOTION HISAMITSU PHARMACEUT CO INC 2001-01-16 JP disclosed