SCHEMBL8846004

SCHEMBL8846004

CC1(C)CCC(C)(C)c2cc(COc3c(C(=O)O)cccc3-c3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.50
RARG P13631 7/20 0.50
RXRA P19793 4/20 0.50
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
RARA P10276 7/20 0.46
CYP26A1 O43174 2/20 0.42
CYP26B1 Q9NR63 2/20 0.42
PPARG P37231 1/20 0.42
PTGER1 P34995 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL8846008 0.85 RXRA (0.46) RARBRARGRXRARXRBRXRG
SCHEMBL8845951 0.83 RXRA (0.47) RARBRARGRXRARXRBRXRG
SCHEMBL8845359 0.83 RXRA (0.42) RARBRARGRXRARXRBRXRG
SCHEMBL8845921 0.82 PTGER1 (0.54) RARBRARGRXRARXRBRXRG
SCHEMBL8797209 0.81 PTGER1 (0.55) RXRARXRBRXRGPTGER1
SCHEMBL8846040 0.79 PTGER1 (0.64) RARBRARGRXRARXRBRXRG
SCHEMBL8846090 0.78 RARB (0.65) RARBRARGRXRARXRBRXRG
SCHEMBL1013671 0.78 RARG (0.59) RARBRARGRXRARXRBRXRG
SCHEMBL8846089 0.78 RXRA (0.49) RARBRARGRXRARXRBRXRG
SCHEMBL8845334 0.77 RXRB (0.46) RARBRARGRXRARXRBRXRG

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