SCHEMBL7630879

SCHEMBL7630879

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.34
ELANE P08246 5/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
FAP Q12884 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 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
SCHEMBL7728742 0.93 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7728957 0.92 PLCG1 (0.37) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7041829 0.92 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7728647 0.92 ELANE (0.36) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7722446 0.92 ELANE (0.36) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7730458 0.92 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7730230 0.92 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1L3MBTL1
SCHEMBL7631759 0.91 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7722351 0.91 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1FAP
SCHEMBL7729474 0.91 PLCG1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed