SCHEMBL8325503

SCHEMBL8325503

CC(C)(C)OC(=O)N(CCN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOB P27338 6/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.41
ACHE P22303 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL8329022 0.92 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AHSD17B10MAOB
SCHEMBL8326721 0.91 MAOB (0.49) ALDH1A1KMT2AHSD17B10MAOBPOLB
SCHEMBL8326801 0.90 ACHE (0.50) ALDH1A1KMT2AHSD17B10MAOBACHE
SCHEMBL8330108 0.89 NPC1 (0.45) SMN1; SMN2ALDH1A1KMT2AHSD17B10MAOB
SCHEMBL25047644 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AHSD17B10MAOB
SCHEMBL31618003 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AHSD17B10MAOB
SCHEMBL19545291 0.81 MAPK1 (0.43) SMN1; SMN2ALDH1A1KMT2AHSD17B10POLB
SCHEMBL31439885 0.81 MAOB (0.43) SMN1; SMN2ALDH1A1KMT2AHSD17B10MAOB
SCHEMBL13314039 0.81 MAOB (0.48) ALDH1A1KMT2AHSD17B10MAOBMEN1
SCHEMBL8328376 0.80 CASP3 (0.40) SMN1; SMN2ALDH1A1KMT2AHSD17B10POLB

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 6 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
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP disclosed
EP-0909759-A2 Individual stereoisomers of 7-(3-aminoalkyl)-1-pyrrolidinyl)-quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1999-04-21 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
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 US disclosed