SCHEMBL7730768

SCHEMBL7730768

CC(=O)c1ncn2c(C)c(C3=C(C(=O)OCOC(=O)C(C)(C)C)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAP Q12884 1/20 0.38
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7732159 0.85 FAP (0.38) FAPKDM4ELMNA
SCHEMBL7728175 0.85 FAP (0.46) FAP
SCHEMBL6891249 0.84 ESR1 (0.40) KDM4ELMNA
SCHEMBL7722511 0.82 ESR1 (0.35) KDM4ELMNA
SCHEMBL7722709 0.81 PLCG1 (0.38)
SCHEMBL7729672 0.78 FAP (0.38) FAPKDM4ELMNA
SCHEMBL7731850 0.78 FAP (0.38) FAPKDM4ELMNA
SCHEMBL8200532 0.75 FAP (0.39) FAPKDM4ELMNA
SCHEMBL14517571 0.75 FAP (0.41) FAPKDM4ELMNA
SCHEMBL13986258 0.73 FAP (0.41) FAPKDM4ELMNA

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