SCHEMBL8969261

SCHEMBL8969261

C[Si](C)(CCCI)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.40
MAPT P10636 1/20 0.39
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL8970648 0.94 MGAM (0.39) MGAMMAPTNR1H2NR1H3ALDH1A1
SCHEMBL18084487 0.86 MGAM (0.44) MGAMMAPTNR1H2NR1H3ALOX12
SCHEMBL9217667 0.81 MAPT (0.47) MGAMMAPTNR1H2NR1H3ALDH1A1
SCHEMBL5801979 0.80 NR1H2 (0.53) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL2974830 0.78 MGAM (0.40) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL10607737 0.78 NR1H2 (0.56) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL4346243 0.78 MGAM (0.40) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL3865502 0.78 MGAM (0.40) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL3228612 0.78 MGAM (0.43) MGAMMAPTNR1H2NR1H3ESR1
SCHEMBL19600556 0.78 MGAM (0.38) MGAMMAPTNR1H2NR1H3ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536732-A REDUCING INFECTIOUSNESS OF HIV MERRELL PHARMACEUTICALS INC. (US) 1996-07-16 US disclosed
EP-0454580-B1 Novel nojirimycin derivatives MERRELL DOW PHARMA (US) 1995-12-27 EP disclosed
US-5252587-A Viricides, aids therapy, antidiabetic agent MERRELL DOW PHARMACEUTICALS, INC. (US) 1993-10-12 US disclosed
EP-0454580-A2 Novel nojirimycin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-30 EP disclosed
EP-0453692-A1 Novel nojirimycin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-30 EP disclosed