SCHEMBL28823481

SCHEMBL28823481

C=CCN(C(=O)OC(C)(C)C)c1c2ccccc2c(Cl)c2c(C)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
GSTO1 P78417 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ATM Q13315 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX5 P09917 1/20 0.31
CNR2 P34972 2/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL28038885 0.86 LMNA (0.35) L3MBTL1TSHRALDH1A1MEN1KMT2A
SCHEMBL28038850 0.83 ALDH1A1 (0.37) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL28039147 0.81 ALDH1A1 (0.43) L3MBTL1ALDH1A1CNR2TP53
SCHEMBL28038862 0.81 ALDH1A1 (0.43) L3MBTL1ALDH1A1CNR2TP53
SCHEMBL28823447 0.77 ALDH1A1 (0.37) L3MBTL1TSHRALDH1A1HPGDGSTO1
SCHEMBL28038900 0.76 CYP3A4 (0.43) L3MBTL1TSHRALDH1A1GSTO1MEN1
SCHEMBL16831613 0.71 ALDH1A1 (0.40) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL20297003 0.70 L3MBTL1 (0.35) L3MBTL1TSHRALDH1A1HPGDGSTO1
SCHEMBL27390924 0.69 TSHR (0.35) L3MBTL1TSHRALDH1A1GSTO1KDM4E
SCHEMBL16297067 0.68 HTT (0.41) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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-104981249-A Antimicrobial compounds, their synthesis and applications thereof SEC DEP FOR HEALTH 2015-10-14 CN disclosed