SCHEMBL9036175

SCHEMBL9036175

COC(=O)CC(=O)C(C)=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 3/20 0.35
HSP90AB1 P08238 1/20 0.33
KMT2A Q03164 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4976326 0.76 MGAM (0.39) GAAMGAMSIMGAM2TSHR
SCHEMBL15120652 0.76 CES2 (0.39) GAAMGAMSIMGAM2TSHR
SCHEMBL11885791 0.74 GAA (0.60) GAAMGAMSIMGAM2TSHR
SCHEMBL15760653 0.72
Acetone SCHEMBL27953895 0.70 MGAM (0.71) GAAMGAMSIMGAM2TSHR
SCHEMBL27976 0.70 MGAM (0.61) GAAMGAMSIMGAM2TSHR
SCHEMBL53913 0.69
SCHEMBL3441102 0.69 MGAM (0.69) GAAMGAMSIMGAM2TSHR
SCHEMBL322476 0.69 GAA (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL11487172 0.69 MGAM (0.52) GAAMGAMSIMGAM2TSHR

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
EP-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed
EP-0362902-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-04-11 EP disclosed
US-4870169-A Intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-26 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP disclosed