SCHEMBL8731379

SCHEMBL8731379

CCCCCCCCCCCCOc1ccc(OCc2cccc(C(=O)O)c2)nc1C=CC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.70
PLA2G4B P0C869 1/20 0.48
PTPN11 Q06124 1/20 0.47
MRGPRX4 Q96LA9 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
SCHEMBL8732073 0.86 LTB4R (0.74) LTB4R
SCHEMBL9336789 0.85 LTB4R (0.52) LTB4RPLA2G4BPTPN11MRGPRX4
SCHEMBL8734202 0.85 LTB4R (0.64) LTB4RPTPN11
SCHEMBL9367967 0.84 LTB4R (0.64) LTB4R
SCHEMBL9333801 0.83 LTB4R (0.58) LTB4RMRGPRX4
SCHEMBL9333838 0.83 LTB4R (0.64) LTB4R
SCHEMBL8075772 0.82 LTB4R (1.00) LTB4R
SCHEMBL27351072 0.82 LTB4R (1.00) LTB4R
SCHEMBL9333856 0.82 LTB4R (0.49) LTB4RPLA2G4BPTPN11MRGPRX4
SCHEMBL9337179 0.82 LTB4R (0.69) LTB4R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP claimed
EP-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP claimed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO claimed
EP-0812194-A4 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORP (US) 1998-03-11 EP disclosed
EP-0812194-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-17 EP disclosed
WO-1996026725-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-06 WO disclosed
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed