SCHEMBL28501332

SCHEMBL28501332

CCCCCOC(=O)c1ccccc1CCCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.76
MAPK1 P28482 3/20 0.76
CYP3A4 P08684 2/20 0.76
TP53 P04637 1/20 0.76
ALDH1A1 P00352 7/20 0.73
LMNA P02545 3/20 0.73
L3MBTL1 Q9Y468 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
KDM4E B2RXH2 3/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 1/20 0.64
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CNR2 P34972 1/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48

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
SCHEMBL5407181 0.98 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28106513 0.98 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL27975029 0.98 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28149248 0.98 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL2385137 0.95 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL451075 0.95 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL21800979 0.95 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL2385142 0.95 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL1147852 0.95 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28239832 0.95 ALDH1A1 (0.77) TSHRMAPK1CYP3A4TP53ALDH1A1

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-107868152-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-09-15 CN disclosed