SCHEMBL8098546

SCHEMBL8098546

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(C#N)NOCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
BCL2 P10415 2/20 0.35
BCL2L1 Q07817 1/20 0.34
GPR119 Q8TDV5 5/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ABCB1 P08183 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
SCHEMBL7804752 0.80 ALDH1A1 (0.39) MCL1ALDH1A1MAPTLMNAGPR119
SCHEMBL7804783 0.79 ALDH1A1 (0.38) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL8112463 0.77 ABCB1 (0.39) MCL1ALDH1A1MAPTBCL2BCL2L1
SCHEMBL8107869 0.75 ABCB1 (0.44) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL9595803 0.75 ABCB1 (0.44) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL9596796 0.75 ABCB1 (0.42) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL8107606 0.75 ABCB1 (0.42) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL9399315 0.75 ALDH1A1 (0.42) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL9142600 0.75 ABCB1 (0.48) MCL1ALDH1A1MAPTLMNABCL2
SCHEMBL8107539 0.75 TGM2 (0.37) MCL1ALDH1A1MAPTBCL2BCL2L1

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