SCHEMBL8328152

SCHEMBL8328152

COC(COC(=O)C(C)(C)C)CN(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKCA P17252 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
LMNA P02545 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8323152 0.89 KDM1A (0.37) RIPK1NPC1CASP3RAB9ASENP8
SCHEMBL8328009 0.85 ADRB2 (0.44) RIPK1NPC1CASP3RAB9ASENP8
SCHEMBL8326314 0.81 TDP1 (0.42) RIPK1TDP1TAS2R14LMNAYAP1
SCHEMBL8324544 0.80 TDP1 (0.41) RIPK1TDP1TAS2R14LMNAYAP1
SCHEMBL8328262 0.74 HDAC3 (0.40) RIPK1NPC1CASP3RAB9ASENP8
SCHEMBL8329333 0.72 KDM1A (0.40) RIPK1TDP1YAP1TEAD4TEAD2
SCHEMBL8330600 0.71 KDM1A (0.39) RIPK1YAP1TEAD4TEAD2TP53
SCHEMBL7609127 0.69 ALDH1A1 (0.50) RIPK1L3MBTL1TDP1TAS2R14YAP1
SCHEMBL13543649 0.68 L3MBTL1 (0.54) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL28584628 0.67 L3MBTL1 (0.52) NPC1CASP3RAB9ASENP8SENP7

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