Sugi Predict

Sugi Predict / Compounds / SCHEMBL8108567

SCHEMBL8108567

SCHEMBL8108567

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ CCR2 P41597 1/20 0.31
▸ HTRA1 Q92743 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
SCHEMBL9595613 1.00 ABCB1 (0.34) ABCB1NR1H2CCR2HTRA1
SCHEMBL9595418 0.91 ABCB1 (0.35) ABCB1NR1H2CCR2HTRA1
SCHEMBL8106554 0.91 ABCB1 (0.35) ABCB1NR1H2CCR2HTRA1
SCHEMBL9567173 0.87 NR1H2 (0.37) ABCB1NR1H2
SCHEMBL8113852 0.86 ABCB1 (0.35) ABCB1NR1H2CCR2
SCHEMBL9596774 0.86 ABCB1 (0.35) ABCB1NR1H2CCR2
SCHEMBL8106596 0.86 ABCB1 (0.34) ABCB1NR1H2
SCHEMBL8429906 0.86 NR1H2 (0.34) ABCB1NR1H2
SCHEMBL8430093 0.86 NR1H2 (0.34) ABCB1NR1H2
SCHEMBL17152840 0.86 NR1H2 (0.34) ABCB1NR1H2

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