SCHEMBL28278024

SCHEMBL28278024

CCCCCCOC(=O)CC(CO)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CNR2 P34972 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 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
SCHEMBL28279355 0.91 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28279426 0.90 TSHR (0.52) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28279405 0.88 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28279363 0.86 TSHR (0.51) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28279377 0.83 TDP1 (0.51) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL10596469 0.83 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9722628 0.82 TSHR (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL693246 0.80 PRKCA (0.67) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL27569537 0.80 MEN1 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28278500 0.79 TSHR (0.52) MEN1KMT2ALMNAALDH1A1TSHR

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-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed