SCHEMBL7633400

SCHEMBL7633400

Cc1ncn2cc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
PTGS1 P23219 2/20 0.34
ESR1 P03372 1/20 0.34
PDE4A P27815 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL7629819 0.89 CACNA1C (0.35) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL6887614 0.89 PTGS1 (0.33) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7633322 0.89 PTGS1 (0.33) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7638706 0.88 PTGS1 (0.33) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL5236238 0.88 PTGS1 (0.33) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL6887157 0.88 PTGS1 (0.33) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7628035 0.87 ESR1 (0.33) CACNA1CPTGS1ESR1PDE4A
SCHEMBL6895949 0.87 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL6772192 0.87 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL7631296 0.87 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4A

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