Sugi Predict

Sugi Predict / Compounds / SCHEMBL8107520

SCHEMBL8107520

SCHEMBL8107520

CC(CO)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ SRC P12931 8/20 0.31
▸ CCR2 P41597 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
SCHEMBL8106554 0.90 ABCB1 (0.35) NR1H2ABCB1SRCCCR2
SCHEMBL9595418 0.90 ABCB1 (0.35) NR1H2ABCB1SRCCCR2
SCHEMBL9595453 0.87 NR1H2 (0.33) NR1H2ABCB1SRC
SCHEMBL19964151 0.86 NR1H2 (0.42) NR1H2ABCB1SRC
SCHEMBL139880 0.86 NR1H2 (0.42) NR1H2ABCB1SRC
SCHEMBL1241324 0.86 NR1H2 (0.42) NR1H2ABCB1SRC
SCHEMBL20312947 0.86 NR1H2 (0.42) NR1H2ABCB1SRC
SCHEMBL1372634 0.86 NR1H2 (0.42) NR1H2ABCB1SRC
SCHEMBL21286125 0.86 NR1H2 (0.42) NR1H2ABCB1SRC
SCHEMBL1241323 0.86 NR1H2 (0.42) NR1H2ABCB1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 — — EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 — — US disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 — — EP disclosed