SCHEMBL8107543

SCHEMBL8107543

C=CCOC(=O)NC(C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
TGM2 P21980 1/20 0.37
MCL1 Q07820 9/20 0.35
BCL2 P10415 2/20 0.35
BCL2L1 Q07817 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CTSL P07711 3/20 0.33
PTPN1 P18031 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL8107606 0.88 ABCB1 (0.42) ABCB1TGM2MCL1BCL2BCL2L1
SCHEMBL9596796 0.88 ABCB1 (0.42) ABCB1TGM2MCL1BCL2BCL2L1
SCHEMBL8107539 0.85 TGM2 (0.37) ABCB1TGM2MCL1BCL2BCL2L1
SCHEMBL9142600 0.82 ABCB1 (0.48) ABCB1TGM2MCL1BCL2ALDH1A1
SCHEMBL9595803 0.81 ABCB1 (0.44) ABCB1MCL1BCL2BCL2L1ALDH1A1
SCHEMBL8107869 0.81 ABCB1 (0.44) ABCB1MCL1BCL2BCL2L1ALDH1A1
SCHEMBL8106793 0.80 TGM2 (0.43) TGM2ALDH1A1MAPTHPGDCTSL
SCHEMBL8107640 0.80 TGM2 (0.40) TGM2ALDH1A1MAPTHPGDCTSL
SCHEMBL10390105 0.79 ALDH1A1 (0.37) ABCB1ALDH1A1MAPTHPGDDPP8
SCHEMBL7859579 0.79 ABCB1 (0.42) ABCB1MCL1BCL2BCL2L1ALDH1A1

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