SCHEMBL28180304

SCHEMBL28180304

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP8 P22894 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28312984 0.92 ALDH1A1 (0.36) ALDH1A1KMT2ACYP3A4ALOX15TSHR
SCHEMBL28224625 0.87 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1KMT2ACYP3A4
SCHEMBL28311970 0.86 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1KMT2ACYP3A4
SCHEMBL28261390 0.84 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1KMT2ACYP3A4
SCHEMBL28248200 0.84 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1KMT2ACYP3A4
SCHEMBL1244583 0.83 GAA (0.43) CYP4F2CYP4A11ALDH1A1KMT2ACYP3A4
SCHEMBL28248202 0.80 ALDH1A1 (0.44) ALDH1A1KMT2ACYP3A4ALOX15TSHR
SCHEMBL19690660 0.79 MMP8 (0.42) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3081469 0.77 CPB2 (0.42) ALDH1A1KMT2ACYP3A4ALOX15TSHR
SCHEMBL1244569 0.76 GAA (0.44) ALDH1A1KMT2ACYP3A4ALOX15TSHR

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-107344978-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN disclosed