SCHEMBL5547265

SCHEMBL5547265

CCCCCCCCC(CC)COC(=O)C=CC#N

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 4/20 0.49
ATM Q13315 2/20 0.49
ZDHHC20 Q5W0Z9 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
HCAR2 Q8TDS4 3/20 0.43
RECQL P46063 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL35834 0.94 TSHR (0.65) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL19529571 0.88 TSHR (0.73) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL10530524 0.84 TSHR (0.45) TSHRTDP1CYP3A4ATMZDHHC20
SCHEMBL445475 0.84 TSHR (0.57) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL226708 0.84 TSHR (0.77) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL445010 0.84 TSHR (0.57) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL30792602 0.84 TSHR (0.57) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL441835 0.84 TSHR (0.57) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL423544 0.84 TSHR (0.77) TSHRPRSS1PRSS2PRSS3TDP1
SCHEMBL87501 0.84 TSHR (0.77) TSHRPRSS1PRSS2PRSS3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993499-B2 Product for and method of protecting and increasing friction of animal paws BONE STACEY (US) 2018-06-12 US disclosed
US-20170119812-A1 Product for and Method of Protecting and Increasing Friction of Animal Paws BONE STACEY (US) 2017-05-04 US disclosed
US-20070248486-A1 Process for Sterilization of Cyanoacrylate Adhesive Compositions and Devices CLAST TRADING LTD (CN) 2007-10-25 US disclosed