SCHEMBL8845892

SCHEMBL8845892

CC1(C)CCC(C)(C)c2cc(COc3ccccc3-c3cccc(CC(=O)O)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.56
PTGER4 P35408 5/20 0.56
PTGER3 P43115 5/20 0.56
PTGER2 P43116 5/20 0.56
FFAR1 O14842 5/20 0.53
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
CFD P00746 2/20 0.47
F11 P03951 2/20 0.47
TPSB2 P20231 2/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
KLKB1 P03952 1/20 0.47
F7 P08709 1/20 0.47
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 2/20 0.47
CYP26A1 O43174 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
RARB P10826 1/20 0.46

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
SCHEMBL8846040 0.88 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8846043 0.86 FFAR1 (0.48) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8845334 0.86 RXRB (0.46) FFAR1CFDF11TPSB2PLG
SCHEMBL8846127 0.83 CFD (0.53) PTGER1PTGER4PTGER3PTGER2CFD
SCHEMBL8846090 0.83 RARB (0.65) PTGER1RXRARXRBRXRGCYP26A1
SCHEMBL8845921 0.83 PTGER1 (0.54) PTGER1RXRARXRBRXRGCYP26A1
SCHEMBL8846492 0.82 RARB (0.49) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8845935 0.82 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8846554 0.81 RXRA (0.46) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8525570 0.81 RARG (0.53) PTGER1PTGER4PTGER3PTGER2RXRA

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