SCHEMBL2855909

SCHEMBL2855909

COC(=O)C(C(C)=O)C(C(C)=O)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 3/20 0.42
CA14 Q9ULX7 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11422036 0.97 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL13220417 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL856080 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL14656273 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL4616218 0.81 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1CA14CA12KMT2A
SCHEMBL5799030 0.79 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL4610375 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL28385459 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL4057115 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19
SCHEMBL11648465 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA14CYP3A4CYP2C19

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-1179571-B1 CURABLE RESIN COMPOSITIONS KANEKA CORP (JP) 2010-01-13 EP disclosed
US-6569980-B1 Low modulus, elongtaion, bonding strength, waterproofing KANEKA CORPORATION (JP) 2003-05-27 US disclosed
EP-1179571-A1 CURABLE RESIN COMPOSITIONS Kaneka Corporation (JP) 2002-02-13 EP disclosed