SCHEMBL29243258

SCHEMBL29243258

CCOC(=O)CC(CC(=O)OCC)CC(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TRPA1 O75762 1/20 0.39
ALOX15 P16050 3/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SOAT1 P35610 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL27836862 0.93 MGAM (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29257536 0.84 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL234997 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL234553 0.74 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1456370 0.74 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL973553 0.74
SCHEMBL29082190 0.74 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6344881 0.74 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15415171 0.74 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5000280 0.73 MGAM (0.50) 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-113179643-B Catalyst component for olefin polymerization 巴塞尔聚烯烃意大利有限公司 2024-07-05 CN disclosed