SCHEMBL24026366

SCHEMBL24026366

COC(=O)CCCOC(C)CO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL10172791 0.94 TSHR (0.50) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL19821798 0.85 TSHR (0.52) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL12439225 0.82 TSHR (0.54) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL16707218 0.82 TSHR (0.58) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL7538601 0.80 TSHR (0.47) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL25645496 0.80 TSHR (0.32) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL29268609 0.79 TSHR (0.45) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL3733099 0.78 TSHR (0.44) TSHRLMNAALDH1A1MAPTKMT2A
Isobutanol SCHEMBL8024741 0.77 TSHR (0.64) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL8798185 0.77 TSHR (0.52) TSHRLMNAALDH1A1MAPTL3MBTL1

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
EP-2214716-B1 HYDROXYAPATITE-TARGETING MULTIARM POLYMERS AND CONJUGATES MADE THEREFROM NEKTAR THERAPEUTICS (US) 2021-11-17 EP disclosed