SCHEMBL13753293

SCHEMBL13753293

CCCCCCCCCCCCOc1ccc(Oc2ccc(N3C(=O)C(C)C(C)C3=O)cc2N2C(=O)C(C)C(C)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PABPC1 P11940 1/20 0.43
LTA4H P09960 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NR5A1 Q13285 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL106158 0.79 HTT (0.46) HTTLMNASMN1; SMN2PABPC1ALDH1A1
SCHEMBL13753291 0.77 PPARG (0.39) HTTLMNASMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL105749 0.73 HTT (0.47) HTTLMNASMN1; SMN2PABPC1ALDH1A1
SCHEMBL2997957 0.68 MGLL (0.62) HTTLMNASMN1; SMN2PABPC1LTA4H
SCHEMBL3003422 0.68 MGLL (0.62) HTTLMNASMN1; SMN2PABPC1LTA4H
SCHEMBL12370638 0.68 LTA4H (0.81) LMNALTA4HGAAMAPTNR5A1
SCHEMBL13900195 0.68 LTA4H (0.81) LMNALTA4HGAAMAPTNR5A1
SCHEMBL25971513 0.68 PABPC1 (0.42) HTTLMNASMN1; SMN2PABPC1ALDH1A1
SCHEMBL22864833 0.67 NR5A1 (0.51) HTTLMNASMN1; SMN2PABPC1LTA4H
SCHEMBL22864832 0.67 NR5A1 (0.51) HTTLMNASMN1; SMN2PABPC1LTA4H

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-20090194737-A1 LIQUID CRYSTAL ALIGNMENT SOLUTION DAXIN MATERIAL CORPORATION (TW) 2009-08-06 US disclosed