SCHEMBL8045280

SCHEMBL8045280

Cc1cn(C(C)C(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TYMP P19971 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39
MAPK1 P28482 1/20 0.38
MET P08581 1/20 0.38
TK1 P04183 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28985694 0.85 TYMP (0.40) HPGDTYMPALDH1A1LMNAALB
SCHEMBL31389027 0.84 TK1 (0.37) HPGDTYMPALDH1A1LMNAALB
SCHEMBL10510362 0.81 SMN1; SMN2 (0.50) ALDH1A1LMNAMETCYP2C19
SCHEMBL3930328 0.81 HPGD (0.43) HPGDTYMPALDH1A1LMNAALB
SCHEMBL9155069 0.80 TYMP (0.43) HPGDTYMPALDH1A1LMNAALB
SCHEMBL784395 0.80 MAPK1 (0.43) HPGDTYMPALDH1A1LMNAALB
SCHEMBL7195434 0.79 TK1 (0.38) HPGDTYMPALDH1A1LMNAALB
SCHEMBL22759941 0.77 MAPK1 (0.41) HPGDTYMPALDH1A1LMNAALB
SCHEMBL4194708 0.77 MAPK1 (0.41) HPGDTYMPALDH1A1LMNAALB
SCHEMBL11713686 0.76 ALDH1A1 (0.48) ALDH1A1LMNAPOLBCYP2C19

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-6084082-A SOLID PHASE SYNTHESIS BY ATTACHING BETA-LACTAM HAVING NUCLEOBASE TO SOLID SUPPORT, DEPROTECTING HYDROXY GROUP, REACTING FREE HYDROXYL GROUP WITH BETA-LACTAMTIDE HAVING ACTIVATED PHOSPHITE GROUP, AND OXIDIZING ISIS PHARMACEUTICALS, INC. (US) 2000-07-04 US disclosed
WO-2000002864-A1 PRECUSORS FOR PNA-MONOMERS MARTENS JUERGEN (DE) 2000-01-20 WO disclosed
US-5866691-A Lactam nucleic acids ISIS PHARMACEUTICALS, INC. (US) 1999-02-02 US disclosed
US-5554746-A Lactam nucleic acids ISIS PHARMACEUTICALS, INC. (US) 1996-09-10 US disclosed
US-4008221-A BACTERICIDE, ANTIBIOTIC RICHARDSON-MERRELL INC. (US) 1977-02-15 US disclosed
US-3956288-A 7-[(2,4-Dioxo-1-pyrimidinyl)acylamino]cephalosporin derivatives RICHARDSON-MERRELL INC. (US) 1976-05-11 US disclosed