SCHEMBL11047779

SCHEMBL11047779

CC(C)(C)c1ccc(OCCCCOc2ccc(S(=O)(=O)c3ccc(OCCCCOc4ccc(C(C)(C)C)cc4)cc3-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR5A1 Q13285 1/20 0.41
ALDH2 P05091 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CXCR5 P32302 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDIA6 Q15084 1/20 0.40
LTA4H P09960 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL11046690 0.99 NR5A1 (0.43) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL11049235 0.99 NR5A1 (0.43) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL11049017 0.90 CYP3A4 (0.44) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL11046970 0.86 GAA (0.58) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL11045695 0.85 NR5A1 (0.57) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL338282 0.85 NR5A1 (0.57) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL11068583 0.85 NR5A1 (0.57) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL338846 0.85 NR5A1 (0.57) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL11046793 0.85 NR5A1 (0.57) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL26136117 0.83 GAA (0.51) MEN1ALDH1A1MAPTKMT2ANPC1

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-4446209-A Heat-sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1984-05-01 US disclosed