SCHEMBL28051399

SCHEMBL28051399

[CH2]C(N)S(=O)(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ALDH1A1 P00352 3/20 0.38
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
KAT6A Q92794 1/20 0.36
LMNA P02545 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
EDNRA P25101 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9732243 0.79 KAT6A (0.41) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL27349975 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL7504532 0.77 LMNA (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL6097627 0.77 LMNA (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL31575071 0.75 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL8742943 0.75 LMNA (0.41) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL562674 0.75 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL6282158 0.73 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL7999434 0.73 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1HSD11B1
SCHEMBL27403973 0.73 CA1 (0.58) SLC1A3SLC1A2SLC1A1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237549-B A kind of synthetic method of sirolimus 40- ether derivants 浙江医药股份有限公司新昌制药厂 2018-03-09 CN claimed
CN-105237549-A Synthetic method for sirolimus 40-ether derivative ZHEJIANG MED XINCHANG PHARM 2016-01-13 CN claimed
CN-105237549-A Synthetic method for sirolimus 40-ether derivative ZHEJIANG MED XINCHANG PHARM 2016-01-13 CN disclosed