SCHEMBL28092169

SCHEMBL28092169

CC=CCCC=CC=CC(O)CC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.50
CMKLR1 Q99788 1/20 0.44
PPARG P37231 3/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
FPR2 P25090 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
OXER1 Q8TDS5 1/20 0.33
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7158189 0.84 GAPDH (0.44) GAPDHCMKLR1PPARGPPARDPPARA
SCHEMBL7158191 0.84 GAPDH (0.44) GAPDHCMKLR1PPARGPPARDPPARA
SCHEMBL7123341 0.83 GAPDH (0.50) GAPDHCMKLR1PPARGGPR132FPR2
SCHEMBL7123347 0.83 GAPDH (0.50) GAPDHCMKLR1PPARGGPR132FPR2
SCHEMBL17459810 0.82 GAPDH (0.43) GAPDHCMKLR1PPARGPPARDPPARA
SCHEMBL17459808 0.82 GAPDH (0.43) GAPDHCMKLR1PPARGPPARDPPARA
SCHEMBL11041657 0.81
SCHEMBL3805343 0.81
SCHEMBL13316122 0.81
SCHEMBL13819130 0.79 GAPDH (0.56) GAPDHCMKLR1PPARGGPR132FPR2

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
CN-103946683-B Gas-liquid contact extraction method and device 株式会社岛津制作所 2016-12-07 CN disclosed