SCHEMBL7730102

SCHEMBL7730102

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4c([S+](C)[O-])ncc4s3)[C@H](C)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ELANE P08246 5/20 0.34
HTR2A P28223 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.30
FAP Q12884 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
SCHEMBL7636725 0.90 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7730574 0.88 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7722240 0.88 L3MBTL1 (0.37) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7730163 0.87 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7638675 0.85 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7107365 0.85 PLCG1 (0.33) PLCG1ELANEHTR2A
SCHEMBL7722513 0.84 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL8194674 0.84 PLCG1 (0.37) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7730194 0.84 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7727841 0.83 ELANE (0.34) PLCG1ELANEHTR2AL3MBTL1FAP

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