SCHEMBL8962379

SCHEMBL8962379

C=C(C)C(=O)OCC(CC)CCCC.CCCCCCCCCCCCCCCCCCC=C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
CYP3A4 P08684 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
CA2 P00918 1/20 0.40
EP300 Q09472 1/20 0.39
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
FAAH O00519 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33

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
Methacrylic Acid SCHEMBL28292362 0.92 TSHR (0.49) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL29752810 0.88 TSHR (0.50) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL2937009 0.86 TSHR (0.52) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL22400566 0.86 TSHR (0.52) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL8204740 0.86 TSHR (0.52) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL16937425 0.86 TSHR (0.69) TSHRCYP3A4TDP1ATMPRSS1
Methacrylic Acid SCHEMBL27427055 0.85 TSHR (0.45) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL28173404 0.85 TSHR (0.58) TSHRALDH1A1EP300FAAH
Methacrylic Acid SCHEMBL4447127 0.85 TSHR (0.56) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL21853807 0.83 TSHR (0.57) 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
US-5489498-A RESIN COMPOSITION CONTAINING BINDER RESIN, LOW MOLECULAR WEIGHT WAX AND COLORING AGENT CANON KABUSHIKI KAISHA (JP) 1996-02-06 US disclosed
US-4828951-A ELECTROGRAPHY KONICA CORPORATION (JP) 1989-05-09 US disclosed