SCHEMBL7361998

SCHEMBL7361998

CC(C)(C)OC(=O)C(N)CN1CCNC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.34
THRB P10828 8/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 1/20 0.32
KCNH2 Q12809 1/20 0.31
KMT2A Q03164 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
SCHEMBL5504851 0.85 TSHR (0.39) TSHRSMN1; SMN2MAPK1THRBPOLB
SCHEMBL560106 0.83 PADI1 (0.41) SMN1; SMN2ALDH1A1DPP4KMT2A
SCHEMBL28507628 0.76 SMN1; SMN2 (0.45) TSHRSMN1; SMN2MAPK1THRBPOLB
SCHEMBL7356318 0.75 SMN1; SMN2 (0.39) TSHRSMN1; SMN2MAPK1THRBPOLB
SCHEMBL7366801 0.74 SMN1; SMN2 (0.36) TSHRSMN1; SMN2THRBPOLBALDH1A1
SCHEMBL7364312 0.74 ALDH1A1 (0.35) TSHRSMN1; SMN2MAPK1THRBPOLB
SCHEMBL485946 0.74 ANPEP (0.42) POLBALDH1A1L3MBTL1KMT2A
SCHEMBL358914 0.74 TOP2A (0.45) TSHRSMN1; SMN2THRBPOLBALDH1A1
SCHEMBL358913 0.74 TOP2A (0.45) TSHRSMN1; SMN2THRBPOLBALDH1A1
SCHEMBL4319902 0.74 TOP2A (0.45) TSHRSMN1; SMN2THRBPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed