SCHEMBL7633322

SCHEMBL7633322

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
ESR1 P03372 2/20 0.33
PDE4A P27815 1/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC29A1 Q99808 1/20 0.30
ABCC2 Q92887 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
SCHEMBL7633400 0.89 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL7629819 0.88 CACNA1C (0.35) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL6887614 0.88 PTGS1 (0.33) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL7638706 0.87 PTGS1 (0.33) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL6887157 0.87 PTGS1 (0.33) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL5236238 0.87 PTGS1 (0.33) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL7637366 0.87 ESR1 (0.32) PTGS1ESR1PDE4ACACNA1C
SCHEMBL5230312 0.87 CACNA1C (0.33) PTGS1ESR1PDE4ACACNA1C
SCHEMBL7628035 0.87 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1C
SCHEMBL6895949 0.87 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CABCC2

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