SCHEMBL16633110

SCHEMBL16633110

C=C(CCC)C(N)=O.C=CC(=O)ON(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 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
Butane SCHEMBL1325593 0.80 TSHR (0.47) TSHRHPGDTHRBKDM6BKDM5C
Acrylamide SCHEMBL28841080 0.79 TSHR (0.37) TSHRHPGDKDM6BKDM5CEGLN1
Trimethylammonium SCHEMBL421126 0.78 TDP1 (0.38) TSHR
Trimethylammonium SCHEMBL28049127 0.77 TDP1 (0.36) TSHR
Trimethylammonium SCHEMBL2435214 0.77 TDP1 (0.36) TSHR
SCHEMBL422556 0.76
SCHEMBL263812 0.76
Acrylamide SCHEMBL28942093 0.75 TSHR (0.44) TSHRHPGDTHRB
Vinyl Ether SCHEMBL28109014 0.75 ALDH1A1 (0.33) TSHRHPGD
N,N-Dimethylethanaminium SCHEMBL446273 0.75 TDP1 (0.35) TSHR

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-20150104404-A1 POLYMER SYNERGY FOR IMPROVED HAIR STYLING THE DIAL CORPORATION (US) 2015-04-16 US claimed
US-20150104404-A1 POLYMER SYNERGY FOR IMPROVED HAIR STYLING THE DIAL CORPORATION (US) 2015-04-16 US disclosed