Sugi Predict

Sugi Predict / Compounds / SCHEMBL9754712

SCHEMBL9754712

SCHEMBL9754712

CC(C)(C)OC(=O)N1CC(C2CC(O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ AR P10275 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ SPR P35270 4/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ GPR119 Q8TDV5 3/20 0.31
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL8106582 1.00 CHRM2 (0.33) CHRM2CHRM1CHRM3ARNR1H2
SCHEMBL8112414 0.90 CHRM2 (0.34) CHRM2CHRM1CHRM3ARSPR
SCHEMBL9596084 0.88 MEN1 (0.30) —
SCHEMBL9399979 0.86 AR (0.33) CHRM2CHRM1CHRM3ARNR1H2
SCHEMBL9399969 0.84 CHRM2 (0.34) CHRM2CHRM1CHRM3ARSPR
SCHEMBL9400105 0.82 NR1H2 (0.35) CHRM2CHRM1CHRM3ARNR1H2
SCHEMBL9020561 0.82 ALDH1A1 (0.42) GPR119
SCHEMBL9399192 0.81 NR1H2 (0.34) CHRM2CHRM1CHRM3ARNR1H2
SCHEMBL9020398 0.81 SPR (0.33) CHRM2CHRM1CHRM3ARNR1H2
SCHEMBL433223 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM3NR1H2GPR119

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
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 — — WO disclosed