SCHEMBL3880876

SCHEMBL3880876

COC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.42
PPARA Q07869 7/20 0.41
PPARG P37231 6/20 0.41
RIMKLA Q8IXN7 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 5/20 0.40
CTSS P25774 4/20 0.40
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL617475 0.92 PPARA (0.48) FOLH1PPARAPPARGMEN1GAA
SCHEMBL2564729 0.92 PPARA (0.48) FOLH1PPARAPPARGMEN1GAA
SCHEMBL617476 0.92 PPARA (0.48) FOLH1PPARAPPARGMEN1GAA
SCHEMBL6337223 0.87 PPARA (0.47) FOLH1PPARAPPARGMEN1GAA
SCHEMBL2323692 0.87 PPARA (0.47) FOLH1PPARAPPARGMEN1GAA
SCHEMBL384624 0.87 PPARA (0.47) FOLH1PPARAPPARGMEN1GAA
SCHEMBL4371936 0.87 FOLH1 (0.43) FOLH1PPARAPPARGRIMKLANAALAD2
SCHEMBL29454915 0.86 CTSK (0.50) PPARAPPARGMEN1GAAKMT2A
SCHEMBL17637824 0.85 MAPT (0.46) FOLH1RIMKLANAALAD2MEN1GAA
SCHEMBL19365108 0.85 MAPT (0.46) FOLH1RIMKLANAALAD2MEN1GAA

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
US-7479371-B2 Method of judging leukemia, pre-leukemia or aleukemic malignant blood disease and diagnostic therefor TOKAI UNIVERSITY (JP) 2009-01-20 US disclosed
US-20060084122-A1 Method of judging leukemia, pre-leukemia or aleukemic malignant blood disease and diagnostic therefor KYOWA MEDEX CO., LTD. (25%) (JP) 2006-04-20 US disclosed
EP-1496360-A1 METHOD OF JUDGING LEUKEMIA, PRE-LEUKEMIA OR ALEUKEMIC MALIGNANT BLOOD DISEASE AND DIAGNOSTIC THEREFOR TOKAI UNIVERSITY (JP) 2005-01-12 EP disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN disclosed