SCHEMBL28071410

SCHEMBL28071410

C=C(C)C(=O)OC(=C)C(=O)O.O=[SH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 3/20 0.33
PEPD P12955 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
ELANE P08246 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
SCHEMBL26128400 0.91 ALDH1A1 (0.48) ALDH1A1TSHRPEPDHSD17B10TDP1
Acrylamide SCHEMBL28154265 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL13287255 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10TDP1THRB
Methacrylic Acid SCHEMBL4305464 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10TDP1THRB
Oxalic Acid SCHEMBL28217950 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10TDP1THRB
Methacrylic Acid SCHEMBL28759569 0.75 TDP1 (0.42) ALDH1A1HSD17B10TDP1
Methacrylic Acid SCHEMBL28398742 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL28218390 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL8828186 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1THRB
Acetic Acid SCHEMBL28803626 0.73 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10TDP1THRB

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-104411879-B Fiber paste and application thereof 松本油脂制药株式会社 2016-06-29 CN disclosed