SCHEMBL9561313

SCHEMBL9561313

C=CCOC(=O)C(C)OC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
TSHR P16473 2/20 0.39
PRKCA P17252 1/20 0.35
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MIF P14174 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
SCHEMBL4676368 0.84 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL7814035 0.84 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL873242 0.83 TDP1 (0.58) TDP1MMP1MMP2MMP3MMP9
SCHEMBL10687652 0.81 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
Ethane SCHEMBL17791907 0.81 TDP1 (0.61) TDP1MMP1MMP2MMP3MMP9
SCHEMBL21631296 0.80 TDP1 (0.40) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL4673003 0.80 TDP1 (0.40) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL4676714 0.79 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL4676717 0.79 TSHR (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL10012268 0.79 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B

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-5215857-A Resists for making integrated circuits JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-06-01 US disclosed