SCHEMBL7727982

SCHEMBL7727982

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ELANE P08246 2/20 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
SCHEMBL7730048 0.89 PLCG1 (0.36) PLCG1ALDH1A1ELANE
SCHEMBL7728210 0.89 PLCG1 (0.33) PLCG1
SCHEMBL7722500 0.88 PLCG1 (0.37) PLCG1ALDH1A1ELANE
SCHEMBL7722214 0.88 PLCG1 (0.37) PLCG1ALDH1A1ELANE
SCHEMBL7728733 0.88 ALDH1A1 (0.34) PLCG1ALDH1A1ELANE
SCHEMBL8196175 0.88 PLCG1 (0.38) PLCG1ALDH1A1ELANE
SCHEMBL7722332 0.88 PLCG1 (0.37) PLCG1ALDH1A1ELANE
SCHEMBL7728195 0.87 ALDH1A1 (0.40) PLCG1ALDH1A1ELANE
SCHEMBL7728648 0.87 PLCG1 (0.37) PLCG1ALDH1A1ELANE
SCHEMBL7729308 0.85 PLCG1 (0.36) PLCG1ALDH1A1ELANE

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