SCHEMBL8108340

SCHEMBL8108340

CC(=O)S[C@H]1C[C@@H](CCC(C)(C)NC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CCR5 P51681 2/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8112316 1.00 ALDH1A1 (0.36) ALDH1A1MAPTCCR5DPP8DPP9
SCHEMBL9595921 1.00 ALDH1A1 (0.36) ALDH1A1MAPTCCR5DPP8DPP9
SCHEMBL8106983 0.92 ALDH1A1 (0.37) ALDH1A1MAPTCCR5DPP8DPP9
SCHEMBL8106682 0.92 ALDH1A1 (0.37) ALDH1A1MAPTCCR5DPP8DPP9
SCHEMBL8098296 0.87 ALDH1A1 (0.39) ALDH1A1MAPTCCR5DPP8DPP9
SCHEMBL10391487 0.83 ALDH1A1 (0.38) ALDH1A1MAPTATMHPGDTDP1
SCHEMBL10390149 0.83 ALDH1A1 (0.41) ALDH1A1MAPTATMHPGDTDP1
SCHEMBL9041342 0.83 ATM (0.40) ALDH1A1MAPTCCR5ATMHPGD
SCHEMBL8098745 0.83 DPP8 (0.39) ALDH1A1MAPTCCR5DPP8DPP9
SCHEMBL7859712 0.83 DPP8 (0.39) ALDH1A1MAPTDPP8DPP9ATM

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