SCHEMBL10385295

SCHEMBL10385295

C=C(C)C(N)=O.C=C(C=C(C)C(=O)O)C(=O)OCC.C=C(CC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 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
SCHEMBL9301639 0.93 NPSR1 (0.37) NPSR1GLO1ALDH1A1TSHRTHRB
Methacrylic Acid SCHEMBL9069461 0.85 NPSR1 (0.40) NPSR1GLO1ALDH1A1TSHRTHRB
SCHEMBL432150 0.85 NPSR1 (0.42) NPSR1GLO1ALDH1A1TSHRTHRB
SCHEMBL10336736 0.84 THRB (0.44) NPSR1GLO1ALDH1A1TSHRTHRB
Ammonia Solution, Strong SCHEMBL15128898 0.83 NPSR1 (0.41) NPSR1GLO1ALDH1A1TSHRTHRB
SCHEMBL195064 0.80 ALDH1A1 (0.47) NPSR1GLO1ALDH1A1TSHRTHRB
Acrylic Acid SCHEMBL3651329 0.79 NPSR1 (0.38) NPSR1GLO1ALDH1A1TSHRTHRB
SCHEMBL11698023 0.79 TSHR (0.44) TDP1NPSR1ALDH1A1TSHRTHRB
SCHEMBL10963845 0.77 TDP1 (0.44) TDP1ALOX15
SCHEMBL9346976 0.77 THRB (0.50) TDP1NPSR1GLO1ALDH1A1TSHR

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-4925756-A Silver-based electrostatic printing master E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-05-15 US disclosed
US-4913998-A Epoxide or aziridine crosslinked copolymer of aromatic and unsaturated acid monomer as binder E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-03 US disclosed