SCHEMBL10281908

SCHEMBL10281908

C=C(CCNC(=O)OCc1ccccc1)OCC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.51
SYK P43405 1/20 0.47
MAPT P10636 2/20 0.47
TGM2 P21980 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
ELANE P08246 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 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
SCHEMBL127919 0.89 HTT (0.54) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL6049741 0.86 HTT (0.59) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL10282200 0.86 LMNA (0.53) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL20136946 0.84 SMN1; SMN2 (0.68) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL903426 0.84 HTT (0.63) SMN1; SMN2LMNAHTTMAPTTGM2
SCHEMBL17495253 0.83 HTT (0.56) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL20526175 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL4513964 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHTTSYKMAPT
SCHEMBL28513293 0.82 HTT (0.54) SMN1; SMN2LMNAHTTSYKMAPT
Glycolic Acid SCHEMBL145941 0.82 HTT (0.58) SMN1; SMN2LMNAHTTSYKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012050899-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2012-04-19 WO disclosed
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed