SCHEMBL7728962

SCHEMBL7728962

CCCCCCCCCCCCCCCC(=O)C(CO)CO

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
CES1 P23141 3/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
GPR84 Q9NQS5 2/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
TLR2 O60603 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL27581155 0.90 CES2 (0.53) CES2MAPTMAPK1
SCHEMBL3424705 0.90 CES2 (0.53) CES2MAPTMAPK1
SCHEMBL10525399 0.90 CES2 (0.53) CES2MAPTMAPK1
SCHEMBL9354071 0.90 CES2 (0.53) CES2MAPTMAPK1
SCHEMBL28560976 0.90 CES2 (0.53) CES2MAPTMAPK1
SCHEMBL844234 0.88 CES2 (0.61) CES2CES1GPR84PPARGPPARD
SCHEMBL10414287 0.87 CES2 (0.50) CES2CES1MAPTMAPK1
SCHEMBL9390983 0.86 CES2 (0.50) CES2CES1MAPTMAPK1
SCHEMBL7797219 0.86 CES2 (0.50) CES2CES1MAPTMAPK1
SCHEMBL9806356 0.82 CES2 (0.59) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410597-B1 ANTIINFLAMMATORY AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2002-06-25 US disclosed