SCHEMBL8846005

SCHEMBL8846005

CC1(C)CCC(C)(C)c2cc(COc3cccc(OC(=O)O)c3-c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
RARA P10276 2/20 0.43
CYP26A1 O43174 3/20 0.42
CYP26B1 Q9NR63 2/20 0.42
PPARG P37231 2/20 0.42
PTGER1 P34995 2/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
FFAR1 O14842 3/20 0.40
PRKCA P17252 1/20 0.39
CFD P00746 2/20 0.39
F11 P03951 2/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
F7 P08709 1/20 0.39
TPSB2 P20231 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
SCHEMBL8846145 0.92 PPARG (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL8846083 0.90 MRGPRX4 (0.42) RXRARXRBRXRGRARBRARG
SCHEMBL8845951 0.88 RXRA (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL8846554 0.85 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL8846008 0.85 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL8846127 0.85 CFD (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL8846043 0.83 FFAR1 (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL8845862 0.83 KMT2A (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL8846492 0.82 RARB (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL8846206 0.82 RARG (0.47) RXRARXRBRXRGRARBRARG

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