SCHEMBL7730458

SCHEMBL7730458

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ELANE P08246 5/20 0.34
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.31
FAP Q12884 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL7728647 0.94 ELANE (0.36) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7722446 0.94 ELANE (0.36) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7041829 0.94 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7728957 0.94 PLCG1 (0.37) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7730230 0.93 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7631759 0.92 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7731024 0.92 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7722351 0.92 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7630879 0.92 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1POLB
SCHEMBL7729474 0.92 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1POLB

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