SCHEMBL6942547

SCHEMBL6942547

O=C(O)CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
DPP8 Q6V1X1 1/20 0.56
DPP9 Q86TI2 1/20 0.56
TGM2 P21980 2/20 0.53
MGLL Q99685 2/20 0.49
RAB9A P51151 1/20 0.48
FOLH1 Q04609 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL11160001 0.96 HTT (0.63) HTTDPP8DPP9TGM2MGLL
SCHEMBL15456527 0.95 HTT (0.61) HTTDPP8DPP9TGM2MGLL
SCHEMBL10639512 0.92 HTT (0.56) HTTDPP8DPP9TGM2RAB9A
SCHEMBL10402368 0.91 HTT (0.56) HTTDPP8DPP9TGM2MGLL
SCHEMBL10500161 0.87 DPP8 (0.58) HTTDPP8DPP9TGM2MGLL
SCHEMBL11169311 0.87 DPP8 (0.57) HTTDPP8DPP9TGM2MGLL
SCHEMBL6418689 0.86 DPP8 (0.58) HTTDPP8DPP9TGM2MGLL
SCHEMBL10403546 0.86 DPP8 (0.53) HTTDPP8DPP9TGM2MGLL
SCHEMBL10825541 0.85 DPP8 (0.57) HTTDPP8DPP9TGM2MGLL
SCHEMBL11391394 0.85 DPP8 (0.57) HTTDPP8DPP9TGM2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014018913-A2 SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2014-01-30 WO disclosed
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
US-4952690-A 6-substituted thia-aza compounds CIBA-GEIGY CORPORATION (US) 1990-08-28 US disclosed
US-4692442-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1987-09-08 US disclosed
US-4524028-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1985-06-18 US disclosed
US-4518533-A Azetidinone-4-disulfides as intermediates for thia-aza compounds with a beta-lactam ring CIBA GEIGY CORPORATION (US) 1985-05-21 US disclosed
US-4515717-A INTERMEDIATES FOR 6-UNSUBSTITUTED PENICILLIN ANTIOBIOTICS CIBA GEIGY CORPORATION (US) 1985-05-07 US disclosed
US-4500457-A TREATING AN ACYLOXYAZETIDINONE WITH MERCAPTO COMPOUND, GLYOYLIC ESTER, HALOGENATION AGENT, AND PHOSPHINE COMPOUNT THEN CYCLIZATION CIBA-GEIGY CORPORATION (US) 1985-02-19 US disclosed
US-4447360-A Intermediates for thia-aza compounds with a β-lactam ring CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4331676-A 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed