SCHEMBL10822305

SCHEMBL10822305

COC(=O)CC(C)(C)CC(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TET2 Q6N021 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
RECQL P46063 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
SLC1A1 P43005 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
SCHEMBL667630 0.79 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL10883539 0.79 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL130707 0.73 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL7256439 0.73 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL6984400 0.71 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL5691969 0.71 KDM4E (0.54) TSHRHSD17B10MGAMGAASI
SCHEMBL10954155 0.71 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL11026137 0.71 MGAM (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL9226097 0.71 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL162441 0.71 KDM4E (0.48) TSHRHSD17B10MGAMGAASI

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
JP-61087644-A None JP disclosed
JP-S6187644-A 3-METHYLBUTYRIC ESTERS SAGAMI CHEM RES CENTER 1986-05-06 JP disclosed