SCHEMBL7048868

SCHEMBL7048868

CCc1ncn2cc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
ESR1 P03372 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 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
SCHEMBL7631296 1.00 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL7634147 0.93 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL7630872 0.93 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL6893008 0.92 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4A
SCHEMBL6893459 0.91 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4A
SCHEMBL7635459 0.90 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4A
SCHEMBL6892576 0.89 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL6886377 0.88 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL7626633 0.88 CACNA1C (0.33) CACNA1CESR1PTGS1PDE4A
SCHEMBL7633400 0.87 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
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