SCHEMBL8328142

SCHEMBL8328142

O=C(O)N(CCCCO)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
REN P00797 1/20 0.41
ACKR3 P25106 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8325252 0.98 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL671194 0.84 REN (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8329778 0.84 MC4R (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8331046 0.83 CA12 (0.50) TDP1POLBAPEX1L3MBTL1
SCHEMBL13723381 0.83 REN (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16333819 0.83 REN (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7609127 0.82 ALDH1A1 (0.50) TDP1POLBAPEX1L3MBTL1ALDH1A1
SCHEMBL8321998 0.80 GAA (0.42) GAALMNATDP1POLBAPEX1
SCHEMBL4207867 0.79 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL25047728 0.75 SSTR4 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed