SCHEMBL7751463

SCHEMBL7751463

CCCCCCC(F)COc1ccc(-c2ncc(OCCCCCCCC3CCCC3)cn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 3/20 0.33
ALOX5 P09917 4/20 0.33
PTGES O14684 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SPHK2 Q9NRA0 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL7751458 1.00 S1PR4 (0.37) S1PR4S1PR1S1PR3S1PR5TLR9
SCHEMBL7752639 0.90 RARB (0.38) S1PR4S1PR1S1PR3S1PR5TLR9
SCHEMBL7752643 0.90 RARB (0.38) S1PR4S1PR1S1PR3S1PR5TLR9
SCHEMBL7750065 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A
SCHEMBL7751456 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A
SCHEMBL7750056 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A
SCHEMBL7748003 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A
SCHEMBL7751404 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A
SCHEMBL7751452 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A
SCHEMBL7751442 0.87 NPC1 (0.43) PTGESTHRATHRBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed