SCHEMBL7854582

SCHEMBL7854582

COc1ccc(C2SC(=O)N[C@@H]2N(C(=O)O)[C@@H](C)CO[N+](=O)[O-])cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.31
GUSB P08236 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL7860976 1.00 MAPT (0.33) MAPTGAAALDH1A1LMNAGUSB
SCHEMBL7864405 0.89 MAPT (0.31) MAPTGAAALDH1A1
SCHEMBL7860988 0.86 MMP9 (0.32) MAPTGAAALDH1A1
SCHEMBL7861006 0.85 MAPT (0.38) MAPTGAAALDH1A1LMNAGUSB
SCHEMBL7864329 0.84 ADORA2B (0.35)
SCHEMBL7860961 0.80 MMP2 (0.34) MAPTGAAALDH1A1LMNA
SCHEMBL7861108 0.79
SCHEMBL7861417 0.79
SCHEMBL7861448 0.77 TP53 (0.31) MAPT
SCHEMBL7864335 0.77 TP53 (0.31) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812835-B1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO CO (JP) 2001-05-23 EP claimed