Sugi Predict

Sugi Predict / Compounds / SCHEMBL7732396

SCHEMBL7732396

SCHEMBL7732396

C=CC[Si](C)(C)c1ccc(C(C)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.53
▸ NR1H3 Q13133 1/20 0.53
▸ PTPN5 P54829 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ UGT2B7 P16662 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
SCHEMBL8836682 0.82 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL10522173 0.77 NR1H2 (0.59) NR1H2NR1H3ALDH1A1
SCHEMBL9651763 0.77 NR1H2 (0.54) NR1H2NR1H3ALDH1A1
SCHEMBL10941257 0.75 NR1H2 (0.56) NR1H2NR1H3ALDH1A1
SCHEMBL9651811 0.74 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL5118101 0.74 NR1H2 (0.56) NR1H2NR1H3NOS3NOS1
SCHEMBL7738428 0.73 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL7737525 0.73 NR1H2 (0.54) NR1H2NR1H3ALDH1A1
SCHEMBL1147728 0.72 NR1H2 (0.53) NR1H2NR1H3ALDH1A1
SCHEMBL28646449 0.72 ALDH1A1 (0.42) NR1H2NR1H3PTPN5ALDH1A1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6416861-B1 COMBINATORIAL CHEMISTRY NORTHWESTERN UNIVERSITY 2002-07-09 — — US disclosed
WO-2000049022-A2 ORGANOSILICON COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2000-08-24 — — WO disclosed