SCHEMBL28645618

SCHEMBL28645618

CC(=O)CC(=O)C(C)(S)S

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL46501 0.77 MGAM (0.41) MGAMGAASIMGAM2HTT
SCHEMBL29640532 0.74 MGAM (0.39) MGAMGAASIMGAM2HTT
SCHEMBL10088108 0.72 MGAM (0.38) MGAMGAASIMGAM2HTT
SCHEMBL5456770 0.72 GAA (0.38) MGAMGAASIMGAM2HTT
SCHEMBL4841368 0.70 KDM4E (0.37) MGAMGAASIMGAM2HTT
SCHEMBL217945 0.70 ALDH1A1 (0.38) MGAMGAASIMGAM2HTT
SCHEMBL31063671 0.70 ALDH1A1 (0.38) MGAMGAASIMGAM2HTT
SCHEMBL970937 0.69 MGAM (0.39) MGAMGAASIMGAM2HTT
SCHEMBL7193179 0.69 MGAM (0.39) MGAMGAASIMGAM2HTT
SCHEMBL15160 0.69 FAAH (0.42) MGAMGAASIMGAM2ALDH1A1

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
CN-113544181-A Non-aqueous crosslinkable composition 湛新荷兰有限公司 2021-10-22 CN disclosed