SCHEMBL8124166

SCHEMBL8124166

CC(CCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.48
LTB4R Q15722 12/20 0.46
PTGIR P43119 2/20 0.43
RXRA P19793 1/20 0.43
NR4A2 P43354 1/20 0.43
FAAH O00519 2/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9771007 0.83 MEN1 (0.51) LTB4RPTGIRKMT2A
SCHEMBL9771033 0.83 MEN1 (0.51) LTB4RPTGIRKMT2A
SCHEMBL9210200 0.81 PTGIR (0.68) TBXAS1LTB4RPTGIRFAAH
SCHEMBL5371862 0.78 FAAH (0.69) RXRANR4A2FAAH
SCHEMBL8104458 0.77 PTGIR (0.67) PTGIRRXRANR4A2FAAH
SCHEMBL8104410 0.77 PTGIR (0.67) PTGIRRXRANR4A2FAAH
Biphenyl SCHEMBL9325687 0.75 ACE2 (0.61) LTB4R
SCHEMBL8118256 0.75 PTGIR (0.48) PTGIR
SCHEMBL8103988 0.74 FAAH (0.61) TBXAS1LTB4RPTGIRFAAHKMT2A
SCHEMBL8112625 0.72 FAAH (0.64) PTGIRFAAHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed