SCHEMBL21023461

SCHEMBL21023461

CC(O)COCC(CO)(COCC1CO1)COCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL15450596 0.85 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL12677361 0.85 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL594507 0.85 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL15827369 0.84 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL12390916 0.81 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL21023737 0.81 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL311323 0.81 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1537333 0.81 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16115060 0.81
SCHEMBL16039188 0.81

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-2493291-B1 PEHAM DENDRIMERS FOR USE IN AGRICULTURE DENDRITIC NANOTECHNOLOGIES INC (US) 2019-05-22 EP disclosed