SCHEMBL21153092

SCHEMBL21153092

C=CCOC(=O)OC(C)N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 4/20 0.38
MAPT P10636 3/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
FAAH O00519 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2639414 0.85 TDP1 (0.46) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL28769390 0.80 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL6896706 0.80 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL10012268 0.80 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL6266956 0.80 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL6268471 0.80 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL15821741 0.80 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL7125516 0.80 MAPT (0.38) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL28496420 0.79
SCHEMBL1110727 0.79

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-20190211258-A1 PHOTOCHROMIC LENS AND POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2019-07-11 US disclosed