SCHEMBL7728794

SCHEMBL7728794

CC(C)C1CC[C@H](C)CC1OC(=O)OCOC(=O)C1=C(c2cn3cnc(S(C)(=O)=O)c3s2)C(C)[C@H]2[C@@H]([C@@H](C)O)C(=O)N12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP19A1 P11511 2/20 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
SCHEMBL7730470 1.00 FAP (0.32) FAPALDH1A1MAPTTSHRNPSR1
SCHEMBL7728252 0.86 FAP (0.34) FAP
SCHEMBL7634484 0.85 CYP19A1 (0.34) FAPALDH1A1MAPTTSHRNPSR1
SCHEMBL7722337 0.83 FAP (0.35) FAP
SCHEMBL7731772 0.82 FAP (0.33) FAP
SCHEMBL7722505 0.82 FAP (0.31) FAP
SCHEMBL7729417 0.81 FAP (0.34) FAP
SCHEMBL7722242 0.81 FAP (0.34) FAP
SCHEMBL7729901 0.81 FAP (0.34) FAP
SCHEMBL7734763 0.80 FAP (0.34) FAP

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