SCHEMBL27265271

SCHEMBL27265271

CC(C)(NC(=O)O)c1cccc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.38
GAA P10253 2/20 0.35
ASIC3 Q9UHC3 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCLAT1 Q6UWP7 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL2607624 0.75 CA2 (0.41) ASIC3MEN1NPC1ALDH1A1RAB9A
SCHEMBL11566692 0.74 SSTR4 (0.52) SSTR4MEN1NPC1ALDH1A1RAB9A
SCHEMBL29936164 0.74 HDAC3 (0.41) SSTR4GAANPC1ALDH1A1RAB9A
SCHEMBL28851686 0.73 EED (0.36) SSTR4
SCHEMBL11210839 0.70 MAOA (0.41) GAAASIC3MEN1NPC1ALDH1A1
SCHEMBL6435840 0.70 PDK1 (0.41) GAANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19203370 0.69 MEN1 (0.35) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27245174 0.68 ALDH1A1 (0.52) GAAMEN1NPC1ALDH1A1TP53
SCHEMBL16981794 0.68 LCLAT1 (0.38) GAAMEN1NPC1ALDH1A1TP53
SCHEMBL19220449 0.68 EED (0.35) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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
CN-1021113-C Seed manure for weat POPULARIZING CENTRE OF AGRICUL (CN) 1993-06-09 CN disclosed