SCHEMBL8470701

SCHEMBL8470701

COc1ccc(N2CC(COc3ccc(C=O)cc3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.45
CYP2A6 P11509 1/20 0.45
GAA P10253 2/20 0.45
GRM2 Q14416 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2B P29275 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6272305 0.82 KMT2A (0.53) ALDH1A1MAPTGAAGRM2KMT2A
SCHEMBL6269771 0.81 KMT2A (0.56) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL12974281 0.78 ALDH1A1 (0.53) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL8115869 0.78 GRM2 (0.74) GRM2
SCHEMBL6267118 0.77 NPC1 (0.59) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL6269927 0.77 LMNA (0.54) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL8471969 0.77 LMNA (0.46) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL6269176 0.76 KMT2A (0.51) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL6267128 0.76 LMNA (0.48) ALDH1A1MAPTGAAKMT2ALMNA
SCHEMBL6267126 0.76 LMNA (0.48) ALDH1A1MAPTGAAKMT2ALMNA

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-5990139-A 2,5-DIOXO-4-(PYRIDYL OR PHENYL-(N-HETEROCYCLE(C4N,C3N2))-ALKYLENOXY-(1,4-PHENYLENE) -)THIADIAZOLIDINES; ANTIDIABETIC AND -LIPEMIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed