SCHEMBL8845334

SCHEMBL8845334

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRB P28702 5/20 0.46
CYP26A1 O43174 5/20 0.46
CFD P00746 3/20 0.43
F11 P03951 3/20 0.43
TPSB2 P20231 2/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
F7 P08709 1/20 0.43
RXRA P19793 4/20 0.43
RXRG P48443 3/20 0.43
PTPN11 Q06124 2/20 0.43
CYP26B1 Q9NR63 5/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
FFAR1 O14842 3/20 0.42

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
SCHEMBL8845951 0.91 RXRA (0.47) RXRBCYP26A1RXRARXRGCYP26B1
SCHEMBL8845861 0.90 RXRA (0.40) RXRBRXRARXRGRARARARB
SCHEMBL8846089 0.89 RXRA (0.49) RXRBRXRARXRGRARARARB
SCHEMBL8845892 0.86 PTGER1 (0.56) RXRBCYP26A1CFDF11TPSB2
SCHEMBL8846454 0.84 RARG (0.45) RXRBCYP26A1RXRARXRGCYP26B1
SCHEMBL8846127 0.84 CFD (0.53) RXRBCYP26A1CFDF11TPSB2
SCHEMBL8845966 0.83 CFD (0.46) RXRBCFDF11TPSB2PLG
SCHEMBL8846078 0.83 MRGPRX4 (0.45) RXRBCYP26A1RXRARXRGCYP26B1
SCHEMBL8845921 0.81 PTGER1 (0.54) RXRBCYP26A1RXRARXRGCYP26B1
SCHEMBL8846005 0.79 RXRA (0.44) RXRBCYP26A1CFDF11TPSB2

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