SCHEMBL19655693

SCHEMBL19655693

CC1(C)CC(NC(=O)N(CCO)CCO)CC(C)(CNC(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL101107 0.87 TSHR (0.50) TSHRTDP1
SCHEMBL19655692 0.84 TSHR (0.47) TSHRTDP1
SCHEMBL1835754 0.83 TSHR (0.62) TSHRALDH1A1TDP1
SCHEMBL11015285 0.81 TSHR (0.52) TSHRTDP1
SCHEMBL12230721 0.80 TSHR (0.59) TSHRALDH1A1TDP1
SCHEMBL21010251 0.80 TSHR (0.59) TSHRALDH1A1TDP1
SCHEMBL17346759 0.78 TSHR (0.57) TSHRALDH1A1TDP1
SCHEMBL25477747 0.78 TSHR (0.51) TSHRTDP1
SCHEMBL17552040 0.77 TSHR (0.50) TSHRTDP1
SCHEMBL17380026 0.75 TSHR (0.67) TSHRALDH1A1TDP1

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
WO-2017205110-A1 PACKAGING COATED WITH AN EMULSION POLYMERIZED LATEX POLYMER PPG INDUSTRIES OHIO, INC. (US) 2017-11-30 WO disclosed