SCHEMBL8846089

SCHEMBL8846089

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
PTGER1 P34995 3/20 0.48
MRGPRX4 Q96LA9 12/20 0.48
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 1/20 0.48
FOLH1 Q04609 1/20 0.47
TP53 P04637 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46

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 0.92 RXRA (0.47) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL8845334 0.89 RXRB (0.46) RXRARXRBRXRGRARARARB
SCHEMBL8845966 0.88 CFD (0.46) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL1016876 0.87 PTGER1 (0.48) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL8846040 0.87 PTGER1 (0.64) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL8846454 0.85 RARG (0.45) RXRARXRBRXRGPTGER1RARA
SCHEMBL8845861 0.85 RXRA (0.40) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL8846078 0.84 MRGPRX4 (0.45) RXRARXRBRXRGMRGPRX4RARA
SCHEMBL8846005 0.80 RXRA (0.44) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL1013671 0.80 RARG (0.59) RXRARXRBRXRGPTGER1MRGPRX4

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