SCHEMBL8875835

SCHEMBL8875835

CCCCCCCCc1cnc(-c2ccc(OC(=O)C3COC(C)(C)O3)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 5/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 3/20 0.39
THRA P10827 2/20 0.39
NPC1 O15118 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 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
SCHEMBL8874065 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8874580 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8874063 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8873928 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8873620 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8873613 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8873917 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8875836 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8874586 1.00 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AHSD17B10
SCHEMBL8876063 0.94 RARB (0.43) RARBMAPTSMN1; SMN2RAB9AHSD17B10

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-5641428-A SHORT SWITCHING TIMES HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed