SCHEMBL13286282

SCHEMBL13286282

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 2/20 0.43
THRB P10828 1/20 0.42
KLK5 Q9Y337 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 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
SCHEMBL13286133 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL13286329 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL17742794 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL247552 0.83 CTSK (0.55) CA12CA14KLK5TSHRTAS1R3
SCHEMBL8807250 0.83 CTSK (0.55) CA12CA14KLK5TSHRTAS1R3
SCHEMBL536280 0.83 CTSK (0.47) CA12CA14KLK5
SCHEMBL536281 0.83 CTSK (0.47) CA12CA14KLK5
SCHEMBL1505521 0.83 CTSK (0.55) CA12CA14KLK5TSHRTAS1R3
SCHEMBL8252284 0.82 CTSK (0.35) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL23260554 0.81 CTSK (0.57) CA12CA14KLK5

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