SCHEMBL8846145

SCHEMBL8846145

CC1(C)CCC(C)(C)c2cc(COc3cccc(OC(=O)O)c3-c3cccc(OC(=O)O)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
FFAR1 O14842 11/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
CYP26A1 O43174 2/20 0.39
CYP26B1 Q9NR63 2/20 0.39
CYP3A4 P08684 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PPARD Q03181 2/20 0.37

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
SCHEMBL8846005 0.92 RXRA (0.44) PPARGFFAR1RXRARXRBRXRG
SCHEMBL8846043 0.88 FFAR1 (0.48) PPARGFFAR1RXRARXRBRXRG
SCHEMBL8846083 0.84 MRGPRX4 (0.42) PPARGRXRARXRBRXRGRARA
SCHEMBL8846206 0.82 RARG (0.47) PPARGRXRARXRBRXRGRARA
SCHEMBL8846492 0.81 RARB (0.49) PPARGFFAR1RXRARXRBRXRG
SCHEMBL8845951 0.80 RXRA (0.47) PPARGRXRARXRBRXRGRARA
SCHEMBL8846554 0.80 RXRA (0.46) PPARGRXRARXRBRXRGRARA
SCHEMBL8846008 0.80 RXRA (0.46) PPARGFFAR1RXRARXRBRXRG
SCHEMBL8846089 0.79 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL8846139 0.79 S1PR1 (0.45) FFAR1RARARARBRARGMRGPRX4

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 1 patent. 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