SCHEMBL8679381

SCHEMBL8679381

C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.71
HPGD P15428 1/20 0.54
THRB P10828 1/20 0.50
CYP3A4 P08684 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 2/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL338002 0.90 TSHR (0.88) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL8679384 0.88 TSHR (0.67) TSHRHPGDTHRBCYP3A4TDP1
Acrylic Acid Ethyl Ester SCHEMBL9863764 0.86 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL8680403 0.86 TSHR (0.81) TSHRHPGDTHRBCYP3A4TDP1
Acrylic Acid SCHEMBL3844152 0.86 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL17139830 0.86 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL7263337 0.86 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL8213029 0.86 TSHR (0.85) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL7627062 0.84 TSHR (0.83) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL3401565 0.84 TSHR (0.83) TSHRHPGDCYP3A4TDP1ATM

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-0820478-A1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEMICAL COMPANY (US) 1998-01-28 EP disclosed