SCHEMBL9335166

SCHEMBL9335166

COc1cccc(CCCCCCCCc2ccc(COc3cccc(C(=O)O)c3)nc2C=CC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.61
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL8073433 0.93 LTB4R (0.64) LTB4R
SCHEMBL8075759 0.83 LTB4R (0.78) LTB4R
SCHEMBL8729238 0.80 LTB4R (0.62) LTB4RMRGPRX4
SCHEMBL8862037 0.78 LTB4R (0.69) LTB4R
SCHEMBL8862039 0.78 LTB4R (0.69) LTB4R
SCHEMBL8075772 0.76 LTB4R (1.00) LTB4R
SCHEMBL27351072 0.76 LTB4R (1.00) LTB4R
SCHEMBL8862024 0.76 LTB4R (0.71) LTB4R
SCHEMBL8862117 0.75 LTB4R (0.73) LTB4R
SCHEMBL8862054 0.74 LTB4R (0.72) 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 3 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