SCHEMBL9054271

SCHEMBL9054271

C=CN(C=C)C(C)=O.COC(=O)C=C(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL30722024 0.84 TSHR (0.60) KDM4ETSHRALOX15HSD17B10
Aconitic Acid SCHEMBL9056853 0.77 KDM4E (0.53) KDM4ETSHRALOX15HSD17B10
SCHEMBL13712337 0.75 KDM4E (0.41) KDM4ETSHRALOX15HSD17B10
SCHEMBL31362035 0.71 TSHR (0.41) KDM4ETSHRHSD17B10
Aconitic Acid SCHEMBL28206295 0.70 TSHR (0.69) KDM4ETSHRALOX15HSD17B10
SCHEMBL3124801 0.70
SCHEMBL2622343 0.68 TSHR (0.65) KDM4ETSHRALOX15HSD17B10
SCHEMBL13398956 0.68 TSHR (0.65) KDM4ETSHRALOX15HSD17B10
SCHEMBL819099 0.68 TSHR (0.65) KDM4ETSHRALOX15HSD17B10
SCHEMBL29156599 0.68 KDM4E (0.54) KDM4ETSHRALOX15HSD17B10

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 5 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-5344655-A Drug delivery SHOWA DENKO K.K. (JP) 1994-09-06 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