SCHEMBL9687587

SCHEMBL9687587

CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALPL P05186 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.38
PTGS2 P35354 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
SCHEMBL1157615 0.92 HTT (0.54) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL2076302 0.92 HTT (0.54) HTTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL6823722 0.88 HTT (0.59) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL6825987 0.88 HTT (0.59) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL61078 0.88 ALDH1A1 (0.51) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL62955 0.88 ALDH1A1 (0.50) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL16098596 0.86 TDP1 (0.60) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL18359615 0.86 S1PR4 (0.48) HTTTDP1ALDH1A1CYP3A4LMNA
SCHEMBL6823725 0.85 HTT (0.45) HTTALDH1A1CYP3A4LMNATSHR
SCHEMBL6823093 0.81 KMT2A (0.56) HTTALDH1A1LMNASMN1; SMN2PKM

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
EP-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed