SCHEMBL8038835

SCHEMBL8038835

CCN(CC)C(=O)c1ccccc1S(=O)(=O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(C(C)O[Si](C)(C)C)[C@@H]2C1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.35
PLCG1 P19174 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCR5 P51681 3/20 0.32
ELANE P08246 6/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8698030 0.91 ELANE (0.38) L3MBTL1RAB9APLCG1ALDH1A1CCR5
SCHEMBL8042511 0.87 DPP8 (0.36) L3MBTL1RAB9APLCG1CCR5NPC1
SCHEMBL8045983 0.85 L3MBTL1 (0.36) L3MBTL1RAB9APLCG1ELANESMN1; SMN2
SCHEMBL8038854 0.84 RAB9A (0.38) L3MBTL1RAB9APLCG1ALDH1A1CCR5
SCHEMBL8039578 0.84 L3MBTL1 (0.36) L3MBTL1RAB9APLCG1ELANENPC1
SCHEMBL9026674 0.78 PLCG1 (0.40) L3MBTL1RAB9APLCG1ELANESMN1; SMN2
SCHEMBL8040724 0.78 PLCG1 (0.38) RAB9APLCG1CCR5ELANESMN1; SMN2
SCHEMBL8038929 0.77 KEAP1 (0.32) ELANE
SCHEMBL29875117 0.76 PLCG1 (0.40) L3MBTL1RAB9APLCG1ELANESMN1; SMN2
SCHEMBL8040733 0.75 ELANE (0.40) L3MBTL1RAB9APLCG1ELANE

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 8 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-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 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