SCHEMBL29036101

SCHEMBL29036101

CCOC(=O)CC(C(=O)OCC)C1CCCC(C)C1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 8/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
UGT2B7 P16662 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL27532523 0.79 CYP2D6 (0.56) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL27791143 0.78 CYP2D6 (0.52) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL27813428 0.77 CYP2D6 (0.51) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL28180205 0.75 CYP2D6 (0.46) CYP2D6ALDH1A1HPGDCYP3A4ALOX15
SCHEMBL28134635 0.75 CYP2D6 (0.46) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL3654740 0.74 CYP2D6 (0.61) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL1245653 0.74 CYP2D6 (0.56) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL1246689 0.73 ALDH1A1 (0.53) CYP2D6ALDH1A1HPGDCYP3A4ALOX15
SCHEMBL1245676 0.73 CYP2D6 (0.60) CYP2D6ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL19690588 0.72 CYP2D6 (0.49) CYP2D6ALDH1A1CYP3A4ALOX15TSHR

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-114456286-B Catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-114456290-B Catalyst system for olefin polymerization and prepolymerized catalyst composition 中国石油化工股份有限公司 2023-07-21 CN disclosed