SCHEMBL8729402

SCHEMBL8729402

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccccc3CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
RARB P10826 3/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL8729321 0.93 THRB (0.51) THRBTHRARARBHPGDMAPT
SCHEMBL816233 0.91 THRB (0.52) THRBRARBL3MBTL1HTTTSHR
SCHEMBL15398104 0.90 THRB (0.44) THRBTHRARARBL3MBTL1HTT
SCHEMBL8729405 0.89 THRB (0.44) THRBRARBHPGDMAPTHTT
SCHEMBL30636399 0.88 THRB (0.56) THRBHPGDMAPTL3MBTL1HTT
SCHEMBL8728233 0.86 THRB (0.47) THRBTHRARARBHPGDMAPT
SCHEMBL8067413 0.86 THRB (0.53) THRBHPGDMAPTL3MBTL1HTT
SCHEMBL8080543 0.85 MAPT (0.44) THRBRARBHPGDMAPTL3MBTL1
SCHEMBL31520193 0.85 NPC1 (0.45) THRBHPGDMAPTHTTLMNA
SCHEMBL13921926 0.85 NPC1 (0.45) THRBHPGDMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed