SCHEMBL7752728

SCHEMBL7752728

CCCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCC4CCCC4)c(F)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
S1PR1 P21453 3/20 0.46
PTPN11 Q06124 2/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PPARG P37231 3/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL7750069 1.00 RARB (0.47) RARBRARARARGS1PR1PTPN11
SCHEMBL7743803 0.92 RARB (0.45) RARBRARARARGS1PR1PTPN11
SCHEMBL10339668 0.88 RARB (0.48) RARBRARARARGS1PR1TLR9
SCHEMBL10339667 0.88 RARB (0.48) RARBRARARARGS1PR1TLR9
SCHEMBL7751437 0.88 RARB (0.42) RARBRARARARGS1PR1PPARG
SCHEMBL7750464 0.88 RARB (0.42) RARBRARARARGS1PR1PPARG
SCHEMBL7749998 0.88 RARB (0.42) RARBRARARARGS1PR1PPARG
SCHEMBL10979316 0.87 RARB (0.59) RARBRARARARGS1PR1PTPN11
SCHEMBL10978712 0.87 RARB (0.59) RARBRARARARGS1PR1PTPN11
SCHEMBL10979911 0.87 RARB (0.59) RARBRARARARGS1PR1PTPN11

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