SCHEMBL8321998

SCHEMBL8321998

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ROCK1 Q13464 1/20 0.38
MCHR1 Q99705 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
SCHEMBL8327663 0.87 ROCK1 (0.44) L3MBTL1TDP1POLBAPEX1YAP1
SCHEMBL23754645 0.84 ALDH1A1 (0.45) LMNAL3MBTL1ALDH1A1
SCHEMBL25176172 0.83 SLC2A1 (0.52) LMNAL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL25419439 0.81 LSS (0.38) LMNAPOLBALDH1A1MAPTROCK1
SCHEMBL8328142 0.80 HDAC1 (0.47) GAALMNAL3MBTL1TDP1POLB
SCHEMBL8325252 0.78 HDAC1 (0.46) GAALMNAL3MBTL1TDP1POLB
SCHEMBL7609127 0.78 ALDH1A1 (0.50) L3MBTL1TDP1POLBAPEX1YAP1
SCHEMBL11527013 0.76 TSHR (0.48) ALDH1A1MAPT
SCHEMBL23403744 0.73 RAF1 (0.53)
SCHEMBL3885094 0.73 LMNA (0.51) LMNAL3MBTL1ALDH1A1MAPT

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