SCHEMBL8698030

SCHEMBL8698030

CCN(CC)C(=O)c1ccccc1S(=O)(=O)C1=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 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.38
RAB9A P51151 2/20 0.38
PLCG1 P19174 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL8038835 0.91 L3MBTL1 (0.36) ELANERAB9APLCG1L3MBTL1ALDH1A1
SCHEMBL8038854 0.87 RAB9A (0.38) ELANERAB9APLCG1L3MBTL1ALDH1A1
SCHEMBL8040724 0.86 PLCG1 (0.38) ELANERAB9APLCG1SMN1; SMN2CCR5
SCHEMBL8040733 0.83 ELANE (0.40) ELANERAB9APLCG1L3MBTL1
SCHEMBL8046000 0.83 ELANE (0.38) ELANERAB9APLCG1L3MBTL1SMN1; SMN2
SCHEMBL8042511 0.78 DPP8 (0.36) RAB9APLCG1L3MBTL1NPC1SMN1; SMN2
SCHEMBL19775159 0.76 PLCG1 (0.42) ELANERAB9APLCG1L3MBTL1ALDH1A1
SCHEMBL9664427 0.76 PLCG1 (0.42) ELANERAB9APLCG1L3MBTL1
SCHEMBL9640039 0.76 PLCG1 (0.42) ELANERAB9APLCG1L3MBTL1
SCHEMBL7593231 0.76 PLCG1 (0.42) ELANERAB9APLCG1L3MBTL1

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 6 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
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