SCHEMBL14286236

SCHEMBL14286236

CCCCC(O)CC(C)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
SPHK1 Q9NYA1 2/20 0.45
TP53 P04637 2/20 0.43
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
SLC15A1 P46059 1/20 0.38
GPR84 Q9NQS5 4/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6545575 0.85
SCHEMBL4378460 0.82 GPR84 (0.44) GPR84ALDH1A1MAPK1FFAR4FFAR1
SCHEMBL14533070 0.82 GPR84 (0.44) GPR84ALDH1A1MAPK1FFAR4FFAR1
SCHEMBL14533072 0.82 GPR84 (0.44) GPR84ALDH1A1MAPK1FFAR4FFAR1
SCHEMBL31509349 0.80 GPR84 (0.40) OPRM1SPHK1GPR84ALDH1A1FFAR4
SCHEMBL109319 0.80 GPR84 (0.40) OPRM1SPHK1GPR84ALDH1A1FFAR4
SCHEMBL428260 0.80 GPR84 (0.40) SPHK1GPR84ALDH1A1TSHRMAPT
SCHEMBL31509354 0.80 GPR84 (0.40) OPRM1SPHK1GPR84ALDH1A1FFAR4
SCHEMBL25330209 0.79 FFAR4 (0.39) OPRM1SPHK1TP53SLC1A3SLC1A2
SCHEMBL9235843 0.78 GPR84 (0.39) OPRM1SPHK1GPR84ALDH1A1TSHR

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-7318932-B2 Coatings for drug delivery devices comprising hydrolitically stable adducts of poly(ethylene-co-vinyl alcohol) and methods for fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2008-01-15 US disclosed