SCHEMBL28680263

SCHEMBL28680263

COC(=O)CCC(S)C(C)(C)C(S)CCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SLC1A1 P43005 1/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TET2 Q6N021 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL2865042 0.80
SCHEMBL10929135 0.78
SCHEMBL9244038 0.74 TSHR (0.52) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL7784845 0.72 TSHR (0.50) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL8399384 0.72 TSHR (0.50) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL16329096 0.72 TSHR (0.50) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL11544587 0.71 TSHR (0.48) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL14354976 0.71 SLC1A1 (0.49) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL5313852 0.70
SCHEMBL125808 0.70

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-113577299-A ROS-responsive monoclonal antibody drug oral nanoparticle and preparation method thereof 浙江大学医学院附属第一医院 2021-11-02 CN claimed
CN-113577299-A ROS-responsive monoclonal antibody drug oral nanoparticle and preparation method thereof 浙江大学医学院附属第一医院 2021-11-02 CN disclosed