SCHEMBL4622984

SCHEMBL4622984

CCCCCCCC/C=C\CCCCCCCCOC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
SPHK2 Q9NRA0 4/20 0.42
SPHK1 Q9NYA1 4/20 0.42
CETP P11597 3/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
DGKA P23743 1/20 0.42
MEN1 O00255 2/20 0.41
GMNN O75496 2/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 2/20 0.41
CXCR5 P32302 2/20 0.41
CCR6 P51684 2/20 0.41

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
SCHEMBL4621765 0.91 USP2 (0.44) ALDH1A1CNR1CNR2SPHK1CETP
SCHEMBL11051065 0.81 CYP2D6 (0.38) ALDH1A1CNR1CNR2SPHK1CETP
SCHEMBL4621813 0.81 USP2 (0.54) ALDH1A1CNR1CNR2SPHK1LPAR1
SCHEMBL16513355 0.80 SPHK1 (0.49) ALDH1A1SPHK2SPHK1CETPMEN1
SCHEMBL9284913 0.79 ALDH1A1 (0.56) ALDH1A1CNR1CNR2SPHK2SPHK1
SCHEMBL3268610 0.78 PRKCA (0.57) ALDH1A1CNR1CNR2DGKAMAPT
SCHEMBL41614 0.78 PRKCA (0.57) ALDH1A1CNR1CNR2DGKAMAPT
SCHEMBL27502999 0.78 PRKCA (0.57) ALDH1A1CNR1CNR2DGKAMAPT
SCHEMBL14374273 0.78 ALDH1A1 (0.63) ALDH1A1CNR1CNR2SPHK2SPHK1
SCHEMBL3433294 0.78 ALDH1A1 (0.63) ALDH1A1CNR1CNR2SPHK2SPHK1

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
EP-1400369-B1 Pattern formation KODAK POLYCHROME GRAPHICS CO (US) 2008-03-19 EP disclosed