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SCHEMBL29387203

SCHEMBL29387203

C=CCOC(=O)OC(C)C(=O)OCCCOC(=O)[C@@H](C)OC(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 4/20 0.38
▸ HPGD P15428 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 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
SCHEMBL10012268 0.89 TDP1 (0.42) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL10011389 0.84 TDP1 (0.39) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL10687652 0.83 TDP1 (0.43) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL22566348 0.82 TDP1 (0.40) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL10011778 0.82 TDP1 (0.40) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL10011785 0.81 TDP1 (0.39) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL22556024 0.80 TDP1 (0.41) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL10012856 0.80 TDP1 (0.41) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL22556022 0.80 TDP1 (0.41) TDP1TSHRCYP3A4ALDH1A1MAPT
SCHEMBL2639414 0.79 TDP1 (0.46) TDP1TSHRCYP3A4ALDH1A1MAPT

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
CN-114025759-A Compounds and methods for treating ocular diseases 阿祖拉眼科有限公司 2022-02-08 — — CN disclosed