SCHEMBL28311990

SCHEMBL28311990

CCCC(C(CC(=O)OCC)C(=O)OCC)C(C)(C#N)CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28286190 0.91 MEN1 (0.31) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226689 0.89 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28311984 0.87 MEN1 (0.32) L3MBTL1
SCHEMBL28284604 0.87
SCHEMBL28227458 0.86 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226664 0.83 ALDH1A1 (0.31) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28262588 0.81 MEN1 (0.32) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28227492 0.78 MEN1 (0.30)
SCHEMBL28226752 0.77 ALDH1A1 (0.34) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226682 0.77 MAPT (0.34) ALDH1A1L3MBTL1

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-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN claimed
CN-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN disclosed