SCHEMBL8204740

SCHEMBL8204740

CCCCCCCCC=C(C)C(=O)OCC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP3A4 P08684 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CA2 P00918 2/20 0.46
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
EP300 Q09472 1/20 0.39
FAAH O00519 1/20 0.38
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL2937009 1.00 TSHR (0.52) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL22400566 1.00 TSHR (0.52) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL27536510 0.94 TSHR (0.55) TSHRCYP3A4TDP1ATMPRSS1
Methacrylic Acid SCHEMBL28292362 0.92 TSHR (0.49) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL16568414 0.87 TSHR (0.41) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL28283091 0.87 TSHR (0.56) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL8962379 0.86 TSHR (0.48) TSHRCYP3A4TDP1ATMPRSS1
Methacrylic Acid SCHEMBL27427055 0.86 TSHR (0.45) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL14660235 0.85 TSHR (0.55) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL4239989 0.83 TSHR (0.59) TSHRCYP3A4TDP1ATMPRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704413-B1 Ceramics sheet and production method for same NIPPON CATALYTIC CHEM IND (JP) 2000-03-15 EP disclosed
EP-0202290-B1 DISPERSANTS INTERNATIONAL PAINT Public Limited Company (GB) 1989-04-12 EP disclosed