SCHEMBL8107580

SCHEMBL8107580

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.34
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 6/20 0.32
P2RX3 P56373 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTRA1 Q92743 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL8107709 0.94 UCHL1 (0.36) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL8098433 0.88 UCHL1 (0.33) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL9596202 0.87 GBA2 (0.32) POLBSMN1; SMN2
SCHEMBL30987695 0.87 UCHL1 (0.35) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL8113960 0.86 NR1H2 (0.36) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL8107705 0.85 UCHL1 (0.36) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL24826391 0.84 P2RX3 (0.40) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL7456999 0.84 P2RX3 (0.40) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL2387781 0.84 P2RX3 (0.40) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL1269514 0.84 P2RX3 (0.40) UCHL1NR1H2CYP1A2POLBCYP3A4

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 4 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
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed