SCHEMBL8040733

SCHEMBL8040733

CCN(CC)C(=O)c1ccccc1SC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(C(C)O)[C@@H]2C1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.40
RAB9A P51151 1/20 0.38
PLCG1 P19174 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
FAP Q12884 1/20 0.35
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL8045983 0.91 L3MBTL1 (0.36) ELANERAB9APLCG1L3MBTL1HTT
SCHEMBL8042506 0.86 LMNA (0.48) ELANERAB9APLCG1L3MBTL1FAP
SCHEMBL9216219 0.85 ELANE (0.46) ELANERAB9APLCG1L3MBTL1FAP
SCHEMBL9216222 0.85 ELANE (0.46) ELANERAB9APLCG1L3MBTL1FAP
SCHEMBL10612514 0.85 ELANE (0.46) ELANERAB9APLCG1L3MBTL1FAP
SCHEMBL8046000 0.83 ELANE (0.38) ELANERAB9APLCG1L3MBTL1HTT
SCHEMBL8698030 0.83 ELANE (0.38) ELANERAB9APLCG1L3MBTL1
SCHEMBL8700514 0.81 ESR1 (0.42) ELANEFAP
SCHEMBL8039592 0.81 ESR1 (0.42) ELANEFAP
SCHEMBL10757693 0.79 ELANE (0.42) ELANERAB9APLCG1L3MBTL1FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 US claimed
EP-0587436-A1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO COMPANY LIMITED (JP) 1994-03-16 EP claimed
EP-0587436-B1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO CO (JP) 2000-05-10 EP disclosed
US-5719275-A REACTING SILYL ENOL ETHER WITH AZETIDINONE DERIVATIVE TO FORM INTERMEDIATE FOR PENICILLIN-TYPE ANTIBIOTIC SANKYO COMPANY, LIMITED (JP) 1998-02-17 US disclosed
US-5681951-A REACTING PENICILLIN DERIVATIVE HAVING SULFINYL OR SULFONYL GROUP IN 2 POSITION WITH SUBSTITUTED MERCAPTAN IN PRESENCE OF SALT OF GROUP IIA OR IIIA ELEMENT SANKYO COMPANY, LIMITED (JP) 1997-10-28 US disclosed
US-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 US disclosed
EP-0587436-A1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed