SCHEMBL8846006

SCHEMBL8846006

CCCCCOc1ccc(COc2cccc(CCC(=O)O)c2-c2cccc(C(=O)OC)c2)cc1OCCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
PTPN11 Q06124 1/20 0.43
PTGER1 P34995 3/20 0.42
PTGER4 P35408 3/20 0.42
PTGER3 P43115 3/20 0.42
PTGER2 P43116 3/20 0.42
FFAR1 O14842 8/20 0.41
CNR2 P34972 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL8846106 0.93 LTB4R (0.56) LTB4RPTPN11PTGER1PTGER4PTGER3
SCHEMBL8846031 0.85 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8845849 0.84 PTPN11 (0.52) LTB4RPTPN11PTGER1PTGER4PTGER3
SCHEMBL8845537 0.83 PTPN11 (0.43) LTB4RPTPN11PTGER1PTGER4PTGER3
SCHEMBL8846442 0.81 PDE4A (0.45) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8846113 0.80 PTPN11 (0.61) PTPN11PTGER1MRGPRX4
SCHEMBL8845814 0.79 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8845944 0.79 PTPN11 (0.63) LTB4RPTPN11PTGER1MRGPRX4
SCHEMBL8846020 0.76 HPGD (0.42) PTPN11CNR2MRGPRX4
SCHEMBL8846136 0.74 PTPN11 (0.53) PTPN11CNR2MRGPRX4PPARG

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-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed