SCHEMBL8845359

SCHEMBL8845359

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
RARA P10276 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ERN1 O75460 2/20 0.38
PPARG P37231 1/20 0.37
FFAR1 O14842 5/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL8846081 0.83 CA1 (0.45) RXRARARBRARGRXRBRXRG
SCHEMBL8846004 0.83 RARB (0.50) RXRARARBRARGRXRBRXRG
SCHEMBL8845862 0.83 KMT2A (0.44) RXRARARBRARGRXRBRXRG
SCHEMBL8846008 0.81 RXRA (0.46) RXRARARBRARGRXRBRXRG
SCHEMBL1638769 0.81 PTGER1 (0.46) RXRARXRBRXRGPDCD1CD274
SCHEMBL8846009 0.78 PTPN1 (0.50) RXRARARBRARGRXRBRXRG
SCHEMBL8845998 0.78 RXRA (0.37) RXRARARBRARGRXRBRXRG
SCHEMBL8845972 0.76 ERN1 (0.45) RXRARARBRARGRXRBRXRG
SCHEMBL8845858 0.76 L3MBTL1 (0.38) RXRARARBRARGRXRBRXRG
SCHEMBL8845892 0.72 PTGER1 (0.56) RXRARARBRARGRXRBRXRG

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 3 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 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