SCHEMBL9056828

SCHEMBL9056828

C=CN(C(C)=O)C(CC)N(C=C)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 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
SCHEMBL1033838 0.85 CHRM1 (0.33) ALDH1A1TSHR
SCHEMBL9056387 0.80 THRB (0.32) ALDH1A1TSHR
SCHEMBL2441885 0.75
SCHEMBL7937905 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL7937850 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL11246905 0.70 OR51E2 (0.34)
SCHEMBL11246909 0.70 OR51E2 (0.34)
SCHEMBL11878576 0.70 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL11293869 0.70 TP53 (0.32) ALDH1A1
SCHEMBL7089937 0.69

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
EP-0446636-B1 External application base or auxiliary agent and external application composition for human being or animal containing the same SHOWA DENKO KK (JP) 1996-06-12 EP disclosed
US-5455042-A Ointment comprising a homogenous mixture of a polymer or copolymer of N-vinylacetamide, water and/or alcohols, and a pharmacologically active component SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-10-03 US disclosed
US-5254338-A N-vinylacetamide polymer SHOWA DENKO K.K. (JP) 1993-10-19 US disclosed
EP-0446636-A2 External application base or auxiliary agent and external application composition for human being or animal containing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 1991-09-18 EP disclosed