SCHEMBL8720503

SCHEMBL8720503

CC(C)C(=O)C1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 4/20 0.38
▸ SLC28A1 O00337 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.38
▸ LMNA P02545 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MTOR P42345 2/20 0.37
▸ THPO P40225 2/20 0.37
▸ PMP22 Q01453 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ DNMT1 P26358 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
SCHEMBL21357702 0.87 CDA (0.40) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL65271 0.87 CDA (0.40) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL10903321 0.82 CDA (0.39) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL25382397 0.82 CDA (0.38) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9057982 0.82 ADORA2A (0.37) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL10903345 0.81 CDA (0.42) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9368753 0.81 TK2 (0.40) CDALMNASMN1; SMN2ALDH1A1POLB
SCHEMBL9057960 0.81 SMN1; SMN2 (0.36) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL3630509 0.81 LMNA (0.45) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6906558 0.81 LMNA (0.45) CDASLC28A1SLC28A2SLC29A1SLC28A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789576-A DIASTEREOSPECIFIC DIMERIZATION USING ALKOXYMAGNESIUM HALIDE REACTANT; USED FOR SOLID PHASE SYNTHESIS OF ANTISENSE OLIGONUCLEOTIDES GENTA INCORPORATED (US) 1998-08-04 — — US disclosed
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