SCHEMBL8916616

SCHEMBL8916616

NCCCC/C=C/c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 5/20 0.46
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP19A1 P11511 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 1/20 0.38
HBB P68871 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.35
GAA P10253 2/20 0.34
ATAD2 Q6PL18 1/20 0.34
TYMP P19971 1/20 0.33

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
SCHEMBL7599202 1.00 DPYD (0.46) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL7603321 0.89 DPYD (0.50) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL8918100 0.89 DPYD (0.50) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL6750388 0.83 DPYD (0.47) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL7604157 0.82 DPYD (0.53) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL7599996 0.76 TLR8 (0.34)
SCHEMBL7599994 0.76 TLR8 (0.34)
SCHEMBL31127529 0.73 DPYD (0.39) DPYDLMNACYP3A4
SCHEMBL6374591 0.69 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1
SCHEMBL190378 0.69 DPYD (0.59) DPYDMAPTALDH1A1LMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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