SCHEMBL7637366

SCHEMBL7637366

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)N(C)C)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
CACNA1C Q13936 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
SCHEMBL8198487 0.92 ABCC2 (0.32)
SCHEMBL6887157 0.90 PTGS1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7638706 0.90 PTGS1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL5236238 0.90 PTGS1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6886241 0.90 CACNA1C (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7630946 0.89 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6897290 0.89 ESR1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6894208 0.89 ESR1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6893770 0.88 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6886377 0.88 CACNA1C (0.34) 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