SCHEMBL28180318

SCHEMBL28180318

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
CYP2D6 P10635 1/20 0.32
RECQL P46063 1/20 0.30
CYP1A2 P05177 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
SCHEMBL28180209 0.89 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28875575 0.88 ZDHHC7 (0.36) MAPTKMT2A
SCHEMBL28139613 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28139002 0.83 CA1 (0.34) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1246716 0.81 MGAM (0.44) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28139003 0.80 MGAM (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL12457255 0.79 MGAM (0.43) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28139614 0.78 MGAM (0.39) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL15443540 0.77 CA1 (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL18828587 0.77 MGAM (0.44) ALDH1A1CYP3A4ALOX15TSHRTDP1

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 claimed