SCHEMBL7556985

SCHEMBL7556985

CCCCCCCc1ccc(-c2ccc3oc(C(=O)Oc4ccc(CCCCC)cc4)cc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
THRB P10828 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRA P10827 1/20 0.48
RARB P10826 8/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ADAMTS4 O75173 1/20 0.42
FLT3 P36888 1/20 0.41
F2 P00734 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
SCHEMBL7559460 0.88 RARB (0.48) MAPTRARBRARARARGMEN1
SCHEMBL7469356 0.87 RARB (0.50) MAPTRARBRARARARGMEN1
SCHEMBL7468384 0.84 RARB (0.51) MAPTRARBRARARARGMEN1
SCHEMBL7461350 0.84 RARB (0.58) MAPTRARBRARARARGMEN1
SCHEMBL7560399 0.81 MAPT (0.48) MAPTTHRBTHRARARBRARA
SCHEMBL7561410 0.81 MAPT (0.48) MAPTTHRBTHRARARBRARA
SCHEMBL7467756 0.79 RARB (0.49) MAPTRARBMEN1ALDH1A1KMT2A
SCHEMBL11547651 0.78 RARB (0.66) MAPTTHRBTHRARARBRARA
SCHEMBL11545763 0.78 RARB (0.66) MAPTTHRBTHRARARBRARA
SCHEMBL11554229 0.78 RARB (0.66) MAPTTHRBTHRARARBRARA

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-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed