SCHEMBL8645258

SCHEMBL8645258

C=C(C)C(=O)OCC(O)CO.C=CC(=O)OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
DGKA P23743 1/20 0.34
THRB P10828 1/20 0.33
FAAH O00519 2/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 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
SCHEMBL5606160 0.91 TSHR (0.49) TSHRKDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL6982256 0.89 TSHR (0.36) TSHRLMNATHRBALDH1A1CYP3A4
Acrylic Acid SCHEMBL6982262 0.86 TSHR (0.50) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL27372752 0.85 TSHR (0.40) TSHRKDM4EDUSP3MEN1KMT2A
Propene SCHEMBL28456176 0.85 TSHR (0.53) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL29375450 0.85 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL25707 0.85 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL16863053 0.85 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL28165263 0.84 TSHR (0.49) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL31323791 0.84 TSHR (0.42) TSHRKDM4EDUSP3MEN1KMT2A

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
EP-0588533-B1 Printed thermoplastic resin products and method for printing such products HAYAKAWA RUBBER (JP) 1998-08-12 EP disclosed