SCHEMBL8040724

SCHEMBL8040724

CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S(=O)(=O)c3ccccc3C(=O)N3CCCCCC3)C(C)[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ELANE P08246 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CCR5 P51681 7/20 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
SCHEMBL8042511 0.91 DPP8 (0.36) PLCG1RAB9ALMNASMN1; SMN2DPP8
SCHEMBL8698030 0.86 ELANE (0.38) PLCG1RAB9ASMN1; SMN2ELANECCR5
SCHEMBL8038903 0.84 PLCG1 (0.38) PLCG1RAB9ALMNASMN1; SMN2ELANE
SCHEMBL8042506 0.84 LMNA (0.48) PLCG1RAB9ALMNASMN1; SMN2ELANE
SCHEMBL8038835 0.78 L3MBTL1 (0.36) PLCG1RAB9ASMN1; SMN2ELANECCR5
SCHEMBL8045998 0.76 DPP8 (0.37) PLCG1RAB9ALMNASMN1; SMN2DPP8
SCHEMBL8046094 0.76 LMNA (0.45) PLCG1RAB9ALMNASMN1; SMN2DPP8
SCHEMBL19775159 0.75 PLCG1 (0.42) PLCG1RAB9ASMN1; SMN2ELANE
SCHEMBL10614763 0.75 PLCG1 (0.43) PLCG1RAB9ASMN1; SMN2ELANE
SCHEMBL14875146 0.74 PLCG1 (0.42) PLCG1RAB9ASMN1; SMN2ELANE

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-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