SCHEMBL7731983

SCHEMBL7731983

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.34
ELANE P08246 2/20 0.32
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7728733 0.93 ALDH1A1 (0.34) PLCG1ELANEHTR2AALDH1A1
SCHEMBL7731024 0.92 PLCG1 (0.35) PLCG1ELANEHTR2A
SCHEMBL7722374 0.91 PLCG1 (0.35) PLCG1ELANEHTR2A
SCHEMBL7728957 0.91 PLCG1 (0.37) PLCG1ELANEHTR2A
SCHEMBL7728180 0.91 PLCG1 (0.32) PLCG1
SCHEMBL7722557 0.90 PLCG1 (0.34) PLCG1ELANEHTR2AALDH1A1
SCHEMBL7728647 0.90 ELANE (0.36) PLCG1ELANEHTR2A
SCHEMBL7730458 0.90 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1
SCHEMBL7722446 0.90 ELANE (0.36) PLCG1ELANEHTR2A
SCHEMBL7631759 0.90 PLCG1 (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