SCHEMBL9042014

SCHEMBL9042014

CC(OC(=O)OCc1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(c3ccccc3)c3ccccc3)[C@H](C)[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.40
RAB9A P51151 1/20 0.38
ELANE P08246 7/20 0.38
HTR2A P28223 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9640033 0.91 PLCG1 (0.42) PLCG1RAB9AELANEHTTTDP1
SCHEMBL7593231 0.91 PLCG1 (0.42) PLCG1RAB9AELANEHTTTDP1
SCHEMBL9664427 0.91 PLCG1 (0.42) PLCG1RAB9AELANEHTTTDP1
SCHEMBL9688291 0.91 PLCG1 (0.42) PLCG1RAB9AELANEHTTTDP1
SCHEMBL9640039 0.91 PLCG1 (0.42) PLCG1RAB9AELANEHTTTDP1
SCHEMBL9026674 0.90 PLCG1 (0.40) PLCG1RAB9AELANEHTTTDP1
SCHEMBL8645642 0.88 PLCG1 (0.38) PLCG1RAB9AELANETDP1L3MBTL1
SCHEMBL10382583 0.88 PLCG1 (0.38) PLCG1RAB9AELANETDP1L3MBTL1
SCHEMBL8645639 0.88 PLCG1 (0.38) PLCG1RAB9AELANETDP1L3MBTL1
SCHEMBL10013149 0.84 PLCG1 (0.42) PLCG1RAB9AELANEHTR2AHTT

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-0442497-B1 Novel beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1996-08-14 EP disclosed
US-5227376-A Quaternary ammonium carbapenem antibiotics SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1993-07-13 US disclosed
EP-0442497-A1 Novel beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-21 EP disclosed