SCHEMBL7729672

SCHEMBL7729672

CC(C)C(=O)c1ncn2cc(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 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7731850 0.92 FAP (0.38) FAPKDM4ELMNA
SCHEMBL7722318 0.85 FAP (0.46) FAP
SCHEMBL6892354 0.83 KDM4E (0.39) KDM4ELMNA
SCHEMBL7731781 0.82 ESR1 (0.34) KDM4ELMNA
SCHEMBL7728648 0.81 PLCG1 (0.37)
SCHEMBL8200532 0.79 FAP (0.39) FAPKDM4ELMNA
SCHEMBL7729776 0.79 FAP (0.46) FAP
SCHEMBL7730646 0.79 FAP (0.46) FAP
SCHEMBL7722410 0.78 FAP (0.46) FAP
SCHEMBL7722353 0.78 FAP (0.46) 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