SCHEMBL8123775

SCHEMBL8123775

CC(C)CCCCCOc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.54
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL8118059 1.00 RARB (0.54) RARBTDP1MEN1LMNAHTT
SCHEMBL13251237 0.92 TDP1 (0.53) RARBTDP1MEN1LMNAHTT
SCHEMBL19862541 0.86 TDP1 (0.66) TDP1HTTKMT2AUSP2ALDH1A1
SCHEMBL7855892 0.83 RARB (0.55) RARBTDP1MEN1KMT2ADRD2
SCHEMBL12879356 0.82 RARB (0.58) RARBTDP1CYP2D6MAPK1TSHR
SCHEMBL10338308 0.82 MEN1 (0.60) TDP1MEN1LMNAHTTKMT2A
SCHEMBL7861361 0.81 RARB (0.54) RARBTDP1HRH3DRD2DRD4
SCHEMBL20603875 0.81 NR5A1 (0.65) RARBTDP1DRD2DRD4DRD3
SCHEMBL10607155 0.81 RARB (0.54) RARBTDP1HRH3DRD3CYP2D6
SCHEMBL7863953 0.81 RARB (0.54) RARBTDP1HRH3DRD2DRD4

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-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed