SCHEMBL28020068

SCHEMBL28020068

CCCCOc1c(C)cccc1C(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 6/20 0.55
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 3/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28020495 0.91 TSHR (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28020507 0.88 TSHR (0.66) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL14974491 0.88 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28020132 0.88 TSHR (0.63) ALDH1A1TSHRTDP1CYP3A4TP53
SCHEMBL28020064 0.86 TSHR (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28215030 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28020540 0.84 TSHR (0.45) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28213604 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL14992204 0.83 TSHR (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL14975222 0.83 TSHR (0.53) ALDH1A1TSHRCYP3A4CA2TP53

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-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed