SCHEMBL18184752

SCHEMBL18184752

C=C/C=C(\C=C)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 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
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL25960762 0.80 MGAM (0.30) MGAMGAASIMGAM2
SCHEMBL17029657 0.80
SCHEMBL18811578 0.77 MCL1 (0.32) ALDH1A1TSHRMAPK1TDP1
SCHEMBL18647651 0.76
SCHEMBL18184569 0.76
SCHEMBL13017399 0.73 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1TDP1
SCHEMBL7263274 0.71 ALDH1A1 (0.33) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7263279 0.71 ALDH1A1 (0.33) ALDH1A1MGAMGAASIMGAM2
SCHEMBL21444789 0.70
SCHEMBL5383072 0.69

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-2017160669-A1 INSULIN-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
WO-2016172631-A2 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-27 WO disclosed