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Sugi Predict / Compounds / SCHEMBL7728210

SCHEMBL7728210

SCHEMBL7728210

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(C(=O)CNS(=O)(=O)CCNC(=O)OCc5ccc([N+](=O)[O-])cc5)c4s3)C[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 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
SCHEMBL6891104 0.95 PLCG1 (0.32) PLCG1DPP8DPP9
SCHEMBL7730048 0.92 PLCG1 (0.36) PLCG1DPP8DPP9
SCHEMBL7728180 0.89 PLCG1 (0.32) PLCG1DPP8DPP9
SCHEMBL7727982 0.89 PLCG1 (0.35) PLCG1
SCHEMBL6894052 0.87 PLCG1 (0.35) PLCG1DPP8DPP9
SCHEMBL7722500 0.86 PLCG1 (0.37) PLCG1
SCHEMBL7722214 0.86 PLCG1 (0.37) PLCG1
SCHEMBL8196175 0.85 PLCG1 (0.38) PLCG1
SCHEMBL7722332 0.85 PLCG1 (0.37) PLCG1
SCHEMBL6891530 0.85 DPP8 (0.30) DPP8DPP9

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