SCHEMBL4916475

SCHEMBL4916475

C=C(CCCC)C(=O)OCCNC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 8/20 0.38
EPHX1 P07099 3/20 0.37
DGKA P23743 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 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
SCHEMBL4920011 0.95 TSHR (0.46) TSHRACHEEPHX1DGKACES2
SCHEMBL515795 0.89 TSHR (0.38) TSHRACHEEPHX1CES2CES1
Dimethylamine SCHEMBL27916692 0.86 TSHR (0.46) TSHRACHEEPHX1DGKACES2
SCHEMBL170886 0.85 TSHR (0.52) TSHRACHEEPHX1DGKACES2
SCHEMBL5167857 0.83 TSHR (0.60) TSHRACHEEPHX1DGKACES2
SCHEMBL3081526 0.83 TSHR (0.55) TSHRACHEEPHX1DGKACES2
SCHEMBL3477341 0.83 TSHR (0.50) TSHRACHEDGKACES2CES1
SCHEMBL515811 0.83 TSHR (0.43) TSHRACHEEPHX1ALDH1A1HPGD
SCHEMBL29094305 0.82 THRB (0.32) TSHRACHETHRB
SCHEMBL29168696 0.82 TSHR (0.53) TSHRACHEEPHX1DGKACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080057434-A1 METHOD OF PRODUCING NON-MAGNETIC ONE-COMPONENT TONER FOR DEVELOPING ELECTROSTATIC IMAGE ZEON CORPORATION (JP) 2008-03-06 US disclosed
US-4163092-A QUATERNIZED MONOMER, CROSS-LINKING AGENT PLASTOMEDICAL SCIENCES, INC. (US) 1979-07-31 US disclosed
US-4060678-A Cationic hydrogels based on hydroxyalkyl acrylates and methacrylates PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-29 US disclosed
US-4058491-A Cationic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-15 US disclosed