SCHEMBL28870965

SCHEMBL28870965

CCC(C)C.CCOC(=O)CC(C(=O)OCC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

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 6/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2454280 0.94 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Ethane SCHEMBL28133876 0.92 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28135330 0.87 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1246716 0.84 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
Propionitrile SCHEMBL28226679 0.84 GAA (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9540715 0.83 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29636387 0.82 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21313397 0.81 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21313402 0.81 ALDH1A1 (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27894893 0.81 LMNA (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608937-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-19 CN disclosed
CN-106608933-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-03-26 CN disclosed