SCHEMBL7728733

SCHEMBL7728733

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@H](C)[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PLCG1 P19174 1/20 0.33
ELANE P08246 1/20 0.31
HTR2A P28223 1/20 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
SCHEMBL7731983 0.93 PLCG1 (0.34) ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7731024 0.90 PLCG1 (0.35) PLCG1ELANEHTR2A
SCHEMBL7722374 0.89 PLCG1 (0.35) PLCG1ELANEHTR2A
SCHEMBL7728742 0.89 PLCG1 (0.35) ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7728957 0.89 PLCG1 (0.37) PLCG1ELANEHTR2A
SCHEMBL7728180 0.89 PLCG1 (0.32) PLCG1
SCHEMBL7630879 0.89 PLCG1 (0.34) ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7728647 0.89 ELANE (0.36) PLCG1ELANEHTR2A
SCHEMBL7730458 0.89 PLCG1 (0.35) ALDH1A1PLCG1ELANEHTR2A
SCHEMBL7722446 0.89 ELANE (0.36) PLCG1ELANEHTR2A

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