SCHEMBL9054490

SCHEMBL9054490

C=CCCC(=O)O.C=CN(C=C(C)C(=O)O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38

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
Itaconate SCHEMBL9056160 0.77 ALOX15 (0.50)
SCHEMBL9056146 0.76 TSHR (0.32) MAPT
Acetic Acid SCHEMBL16598390 0.74 MAPT (0.56) ABCC4MAPT
Aconitic Acid SCHEMBL9056853 0.74 KDM4E (0.53)
Methacrylic Acid SCHEMBL11544583 0.73 MAPT (0.50) ABCC4MAPT
SCHEMBL9055181 0.72 LPAR2 (0.34)
SCHEMBL115342 0.72
Styrene SCHEMBL9054563 0.70 AKR1C3 (0.47)
Ammonia Solution, Strong SCHEMBL10482853 0.70
SCHEMBL1025487 0.70

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