SCHEMBL8724364

SCHEMBL8724364

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccc(C(=O)OCCC)cc3OCc3ccc(-c4ccc(OCCCCCCCCOC(=O)C=C)cc4)nc3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
THRB P10828 2/20 0.42
TP53 P04637 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PLA2G4B P0C869 1/20 0.36
RARB P10826 3/20 0.36

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
SCHEMBL8729302 0.94 MAPT (0.44) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8728075 0.92 MAPT (0.45) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8077449 0.90 MAPT (0.43) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8077421 0.88 SMN1; SMN2 (0.48) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8724338 0.87 KDM4E (0.37) MAPTSMN1; SMN2KDM4E
SCHEMBL8067467 0.86 MAPT (0.39) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8077341 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBKDM4EALDH1A1
SCHEMBL8081986 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBKDM4EALDH1A1
SCHEMBL8077314 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBKDM4EALDH1A1
SCHEMBL8077327 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBKDM4EALDH1A1

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