SCHEMBL8845849

SCHEMBL8845849

CCCCCOc1ccc(COc2cccc(CC(=O)O)c2-c2cccc(C(=O)O)c2)cc1OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.52
MRGPRX4 Q96LA9 4/20 0.48
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
LTB4R Q15722 1/20 0.46
CFD P00746 2/20 0.44
F11 P03951 2/20 0.44
TPSB2 P20231 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
F7 P08709 1/20 0.44
PTGER1 P34995 6/20 0.44
PPARA Q07869 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 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
SCHEMBL8845537 0.92 PTPN11 (0.43) PTPN11MRGPRX4PTPN1PTPN6LTB4R
SCHEMBL8846106 0.91 LTB4R (0.56) PTPN11MRGPRX4LTB4RPTGER1PPARA
SCHEMBL8845847 0.89 PTPN11 (0.53) PTPN11PTGER1
SCHEMBL8846113 0.88 PTPN11 (0.61) PTPN11MRGPRX4PTPN1PTPN6PTGER1
SCHEMBL8845944 0.87 PTPN11 (0.63) PTPN11MRGPRX4PTPN1PTPN6LTB4R
SCHEMBL8846006 0.84 LTB4R (0.48) PTPN11MRGPRX4LTB4RPTGER1PTGER4
SCHEMBL8845974 0.81 PLA2G4B (0.46) PTPN11PTGER1PTGER4PTGER3PTGER2
SCHEMBL8846136 0.81 PTPN11 (0.53) PTPN11MRGPRX4PTPN1PTPN6
SCHEMBL8846484 0.79 PDE4A (0.52) MRGPRX4CFDF11TPSB2PLG
SCHEMBL8845966 0.78 CFD (0.46) MRGPRX4CFDF11TPSB2PLG

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