SCHEMBL9216222

SCHEMBL9216222

CC(O)[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Sc3ccccc3)[C@H](C)[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.46
PLCG1 P19174 1/20 0.44
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAP Q12884 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10612514 1.00 ELANE (0.46) ELANEPLCG1RAB9ATDP1HTR2A
SCHEMBL9216219 1.00 ELANE (0.46) ELANEPLCG1RAB9ATDP1HTR2A
SCHEMBL10862718 0.87 PLCG1 (0.40) ELANEPLCG1RAB9ATDP1HTR2A
SCHEMBL10862713 0.87 PLCG1 (0.40) ELANEPLCG1RAB9ATDP1HTR2A
SCHEMBL10865984 0.87 PLCG1 (0.40) ELANEPLCG1RAB9ATDP1HTR2A
SCHEMBL10757693 0.86 ELANE (0.42) ELANEPLCG1RAB9AHTR2AHTT
SCHEMBL10757699 0.86 ELANE (0.42) ELANEPLCG1RAB9AHTR2AHTT
SCHEMBL10757697 0.86 ELANE (0.42) ELANEPLCG1RAB9AHTR2AHTT
SCHEMBL9025689 0.86 ELANE (0.39) ELANEPLCG1RAB9ATDP1L3MBTL1
SCHEMBL10759797 0.85 ELANE (0.42) ELANEPLCG1RAB9AHTR2AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424422-A Beta-lactams and their production SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1995-06-13 US disclosed
US-5310897-A Beta-lactams and their production SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1994-05-10 US disclosed
EP-0188816-B1 NOVEL BETA-LACTAMS AND THEIR PRODUCTION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-10-17 EP disclosed
EP-0188816-A1 Novel beta-lactams and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-30 EP disclosed