SCHEMBL7628875

SCHEMBL7628875

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4c(C=O)ncc4s3)[C@H](C)[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CACNA1C Q13936 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
SCHEMBL7635372 0.87 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7631792 0.86 CACNA1C (0.35) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7633272 0.86 CACNA1C (0.35) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6889653 0.85 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C
SCHEMBL8187676 0.84 FAP (0.46)
SCHEMBL6889748 0.84 CACNA1C (0.35) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7630405 0.84 CACNA1C (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7633495 0.84 CACNA1C (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6891529 0.83 ESR1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6892382 0.79 ESR1 (0.33) ESR1PTGS1PDE4ACACNA1C

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-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed