SCHEMBL8846554

SCHEMBL8846554

CC1(C)CCC(C)(C)c2cc(COc3ccccc3-c3ccccc3OC(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
RARB P10826 4/20 0.44
RARG P13631 4/20 0.44
CYP26A1 O43174 3/20 0.44
CYP26B1 Q9NR63 2/20 0.44
PPARG P37231 2/20 0.44
PTGER1 P34995 6/20 0.44
RARA P10276 3/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MCL1 Q07820 1/20 0.40
CYP3A4 P08684 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40

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
SCHEMBL8846492 0.89 RARB (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL8845921 0.87 PTGER1 (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL8846043 0.86 FFAR1 (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL8846008 0.86 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL8846005 0.85 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL8846206 0.84 RARG (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL8846090 0.83 RARB (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL8846040 0.81 PTGER1 (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL8845892 0.81 PTGER1 (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL8846145 0.80 PPARG (0.41) 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