SCHEMBL9336789

SCHEMBL9336789

CCCCCCCCCCCCOc1ccc(OCc2cccc(C(=O)O)c2)nc1C=CP(=O)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.52
MRGPRX4 Q96LA9 4/20 0.44
PLA2G4B P0C869 1/20 0.44
PTPN11 Q06124 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8731379 0.85 LTB4R (0.70) LTB4RMRGPRX4PLA2G4BPTPN11
SCHEMBL8862137 0.84 LTB4R (0.74) LTB4RPLA2G4B
SCHEMBL9333856 0.78 LTB4R (0.49) LTB4RMRGPRX4PLA2G4BPTPN11
SCHEMBL8732073 0.73 LTB4R (0.74) LTB4R
SCHEMBL8734202 0.71 LTB4R (0.64) LTB4RPTPN11
SCHEMBL9367967 0.70 LTB4R (0.64) LTB4R
SCHEMBL9333801 0.70 LTB4R (0.58) LTB4RMRGPRX4TP53PKMNFKB1
SCHEMBL9333838 0.70 LTB4R (0.64) LTB4R
SCHEMBL9337179 0.69 LTB4R (0.69) LTB4R
SCHEMBL9334167 0.69 LTB4R (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
EP-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed
EP-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP disclosed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed