SCHEMBL4566258

SCHEMBL4566258

O=C(O)C=CC=CC=CC(O)C(O)CCCCCCCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
OXER1 Q8TDS5 1/20 0.30
PPARG P37231 2/20 0.30
GPR132 Q9UNW8 1/20 0.30

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
SCHEMBL28080055 1.00 FPR2 (0.48) FPR2NFKB1NFKB2RELAACHE
SCHEMBL2228459 0.98 ACHE (0.46) FPR2NFKB1NFKB2RELAACHE
SCHEMBL1506635 0.86 FPR2 (0.39) FPR2NFKB1NFKB2RELAACHE
SCHEMBL21552032 0.86 FPR2 (0.39) FPR2NFKB1NFKB2RELAACHE
SCHEMBL1958483 0.86 FPR2 (0.65) FPR2NFKB1NFKB2RELAACHE
SCHEMBL1958482 0.86 FPR2 (0.65) FPR2NFKB1NFKB2RELAACHE
SCHEMBL25332329 0.84 FPR2 (0.62) FPR2NFKB1NFKB2RELAACHE
SCHEMBL6129416 0.83 ACHE (0.65) FPR2NFKB1NFKB2RELAACHE
SCHEMBL667165 0.83 ACHE (0.65) FPR2NFKB1NFKB2RELAACHE
SCHEMBL30072208 0.83 ACHE (0.65) FPR2NFKB1NFKB2RELAACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874281-A4 OPTIMIZING PHARMACODYNAMICS OF THERAPEUTIC AGENTS FOR TREATING VASCULAR TISSUE CARTER ANDREW J (US) 2009-01-14 EP disclosed
EP-1874281-A2 OPTIMIZING PHARMACODYNAMICS OF THERAPEUTIC AGENTS FOR TREATING VASCULAR TISSUE Carter, Andrew J. (US) 2008-01-09 EP disclosed
US-20060222627-A1 Optimizing pharmacodynamics of therapeutic agents for treating vascular tissue CARTER ANDREW 2006-10-05 US disclosed
WO-2006105374-A2 OPTIMIZING PHARMACODYNAMICS OF THERAPEUTIC AGENTS FOR TREATING VASCULAR TISSUE CARTER ANDREW J (US) 2006-10-05 WO disclosed