SCHEMBL7729863

SCHEMBL7729863

CCC(CC)C(=O)OCOC(=O)C1=C(c2cn3cnc(C(C)=O)c3s2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.35

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
SCHEMBL7729776 0.89 FAP (0.46) FAP
SCHEMBL7722343 0.89 FAP (0.34) FAP
SCHEMBL7734482 0.89 FAP (0.36) FAP
SCHEMBL7728213 0.87 FAP (0.35) FAP
SCHEMBL7731895 0.86 FAP (0.35) FAP
SCHEMBL7732125 0.86 FAP (0.35) FAP
SCHEMBL7728031 0.85 FAP (0.35) FAP
SCHEMBL7812399 0.85 FAP (0.30) FAP
SCHEMBL7638706 0.84 PTGS1 (0.33)
SCHEMBL5236238 0.84 PTGS1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed