SCHEMBL10458429

SCHEMBL10458429

C=CCOC(=O)[C@@H](N)[C@@H](C)CC.N=C=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
DPP4 P27487 9/20 0.34
DPP8 Q6V1X1 4/20 0.34
DPP9 Q86TI2 4/20 0.34
IARS1 P41252 6/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
DPP7 Q9UHL4 3/20 0.31

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
SCHEMBL2520032 0.92 TDP1 (0.40) TDP1TSHRDPP4DPP8DPP9
SCHEMBL3965568 0.92 TDP1 (0.40) TDP1TSHRDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL8565446 0.90 TDP1 (0.39) TDP1TSHRDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL8565445 0.90 TDP1 (0.39) TDP1TSHRDPP4DPP8DPP9
SCHEMBL10458300 0.85 TDP1 (0.38) TDP1TSHRDPP4MAPTCACNA1B
SCHEMBL10458659 0.83 TDP1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL8826642 0.78 DPP4 (0.39) DPP4DPP8DPP9IARS1DPP7
SCHEMBL10456808 0.76 SLC7A5 (0.40) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL8125979 0.76 DPP4 (0.35) DPP4DPP8DPP9IARS1DPP7
SCHEMBL2730560 0.76 TDP1 (0.43) TDP1TSHRDPP4MAPTCACNA1B

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
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed