SCHEMBL7743803

SCHEMBL7743803

CCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCCC4CCCC4)c(F)c3)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
S1PR1 P21453 6/20 0.42
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
S1PR3 Q99500 3/20 0.39
S1PR2 O95136 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
PTPN11 Q06124 2/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PPARG P37231 3/20 0.37
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7752728 0.92 RARB (0.47) RARBS1PR1RARARARGS1PR3
SCHEMBL7750069 0.92 RARB (0.47) RARBS1PR1RARARARGS1PR3
SCHEMBL9494306 0.89 RARB (0.55) RARBS1PR1RARARARGS1PR3
SCHEMBL7745506 0.88 RARB (0.49) RARBS1PR1RARARARGS1PR3
SCHEMBL7751308 0.88 RARB (0.49) RARBS1PR1RARARARGS1PR3
SCHEMBL9061474 0.84 RARB (0.60) RARBS1PR1RARARARGS1PR3
SCHEMBL27316914 0.84 RARB (0.54) RARBS1PR1RARARARGS1PR3
SCHEMBL7751383 0.84 RARB (0.41) RARBS1PR1RARARARGPTPN11
SCHEMBL7751497 0.84 RARB (0.41) RARBS1PR1RARARARGPTPN11
SCHEMBL9563706 0.83 RARB (0.56) RARBS1PR1RARARARGS1PR3

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