SCHEMBL13286136

SCHEMBL13286136

COC(=O)[C@@H](NC(=O)N[C@@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 6/20 0.49
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.46
THRB P10828 1/20 0.45
FPR2 P25090 1/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL13286492 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL13286279 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL13530964 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL8350093 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL12463812 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL4653372 0.80 CA12 (0.54) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10792981 0.80 ALDH1A1 (0.64) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL13286329 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL13286282 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL17742794 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081731-A2 DERIVATIVES OF SYRINGOLIN A Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V (DE) 2010-07-22 WO disclosed