SCHEMBL7599681

SCHEMBL7599681

NCCCc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP19A1 P11511 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 1/20 0.45
HBB P68871 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DPYD Q12882 1/20 0.41
GAA P10253 1/20 0.41
ATAD2 Q6PL18 1/20 0.41

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
SCHEMBL7603360 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL7599533 0.93 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL2320491 0.88 ALDH1A1 (0.48) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL4353311 0.83 DPYD (0.50) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL23610067 0.81 GAA (0.47) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL2037916 0.79 DPYD (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL357910 0.79 TYMP (0.50) ATAD2
SCHEMBL6573665 0.78 TYMP (0.51) ATAD2
Hydrochloric Acid SCHEMBL22659843 0.78 DPYD (0.45) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL7598825 0.77 F13A1 (0.44) SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
US-5817786-A Single-stranded labelled oligonucleotides of preselected sequences MOLECULAR BIOSYSTEMS, INC. (US) 1998-10-06 US disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 US disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 US disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed