SCHEMBL8112015

SCHEMBL8112015

C[C@@]1(O)C[C@@](O)(C(=O)c2ccc(Cl)cc2)[C@@H](C(O)C(=O)c2ccc(Cl)cc2)O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 2/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
TRPA1 O75762 1/20 0.32
HPGD P15428 1/20 0.31
GSK3B P49841 1/20 0.31
CHRNA7 P36544 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ATM Q13315 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
SCHEMBL8112010 1.00 KMT2A (0.33) KMT2ALMNAGAAP2RX7MEN1
SCHEMBL2476284 0.86 GSK3B (0.32) KMT2ALMNAGAAP2RX7MEN1
SCHEMBL2476289 0.86 GSK3B (0.32) KMT2ALMNAGAAP2RX7MEN1
SCHEMBL1799677 0.79 HPGD (0.33) KMT2ALMNAGAAMEN1L3MBTL1
SCHEMBL8718920 0.79 HPGD (0.33) KMT2ALMNAGAAMEN1L3MBTL1
SCHEMBL6142770 0.79 HPGD (0.33) KMT2ALMNAGAAMEN1L3MBTL1
SCHEMBL2471234 0.79 HPGD (0.33) KMT2ALMNAGAAMEN1L3MBTL1
SCHEMBL8044926 0.77 P2RX7 (0.32) KMT2AGAAP2RX7MEN1GSK3B
SCHEMBL11350296 0.77 P2RX7 (0.32) KMT2AGAAP2RX7MEN1GSK3B
SCHEMBL9594501 0.77 P2RX7 (0.32) KMT2AGAAP2RX7MEN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62012790-A None JP disclosed
JP-7224081-A None JP disclosed
JP-2000290289-A PRODUCTION OF 1-HALOGENO-2-DEOXYRIBOFURANOSE DERIVATIVE MITSUI CHEMICALS INC 2000-10-17 JP disclosed
JP-H07224081-A PRODUCTION OF DEOXYRIBOFURANOSYL HALIDE DERIVATIVE KOBAYASHI KORYO KK 1995-08-22 JP disclosed
JP-S6212790-A PRODUCTION OF 3,5-DIACYL-2-DEOXYRIBOFURANOSYL HALIDE TEIJIN LTD 1987-01-21 JP disclosed