SCHEMBL7749998

SCHEMBL7749998

CCCCCCCc1cnc(-c2ccc(OCCCCCCCC3CCCC3)c(F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.42
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
THRA P10827 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
SCHEMBL7751437 1.00 RARB (0.42) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL7750464 1.00 RARB (0.42) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL9398977 0.89 TLR9 (0.41) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL9398986 0.89 TLR9 (0.41) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL10560165 0.88 RARB (0.52) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL10558978 0.88 RARB (0.52) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL10558236 0.88 RARB (0.52) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL10555705 0.88 RARB (0.52) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL10554428 0.88 RARB (0.52) RARBS1PR1S1PR3S1PR4S1PR5
SCHEMBL9399114 0.88 RARB (0.52) RARBS1PR1S1PR3S1PR4S1PR5

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-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
US-5759443-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-02 US disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed