SCHEMBL8487262

SCHEMBL8487262

CCCCCCCCCCCCC(O)COc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
PLA2G4B P0C869 2/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RARB P10826 3/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 1/20 0.40
NR5A1 Q13285 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL5713089 0.91 S1PR1 (0.50) S1PR1PLA2G4BALDH1A1HPGDMAPT
SCHEMBL31365390 0.91 S1PR1 (0.56) S1PR1PLA2G4BALDH1A1HPGDMAPT
SCHEMBL15007577 0.85 ALDH1A1 (0.51) S1PR1PLA2G4BALDH1A1HPGDMAPT
SCHEMBL2459090 0.84 S1PR1 (0.50) S1PR1PLA2G4BALDH1A1HPGDMAPT
SCHEMBL5080243 0.82 PLA2G4B (0.52) S1PR1PLA2G4BALDH1A1HPGDMAPT
SCHEMBL3688430 0.81 S1PR1 (0.45) S1PR1PLA2G4BALDH1A1HPGDMAPT
SCHEMBL27761100 0.80 NR5A1 (0.47) PLA2G4BMAPTRARBNPC1RAB9A
SCHEMBL1608529 0.80 S1PR1 (0.53) S1PR1PLA2G4BALDH1A1MAPTKDM4E
SCHEMBL2197581 0.80 S1PR1 (0.53) S1PR1PLA2G4BMAPTHTTKDM4E
SCHEMBL21990 0.79 PLA2G4B (0.55) S1PR1PLA2G4BALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939698-A1 THERMAL LITHOGRAPHIC PRINTING PLATES Kodak Polychrome Graphics LLC (US) 1999-09-08 EP disclosed
WO-1999011458-A1 THERMAL LITHOGRAPHIC PRINTING PLATES KODAK POLYCHROME GRAPHICS LLC (US) 1999-03-11 WO disclosed
WO-1998033645-A1 DIE ADHESIVE OR ENCAPSULANT OF EPOXY SILOXANE AND POLYEPOXY RESIN POLYSET COMPANY, INC. (US) 1998-08-06 WO disclosed