SCHEMBL9055181

SCHEMBL9055181

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
BTN3A1 O00481 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
SCHEMBL9230758 0.93 LPAR3 (0.35) LPAR2LPAR3
SCHEMBL2140462 0.77 LPAR3 (0.52) LPAR2LPAR3BTN3A1
SCHEMBL9054490 0.72 ABCC4 (0.38)
SCHEMBL9055952 0.71 LPAR3 (0.40) LPAR2LPAR3BTN3A1
SCHEMBL9056146 0.68 TSHR (0.32)
SCHEMBL4670993 0.67 LPAR3 (0.53) LPAR2LPAR3
SCHEMBL31579105 0.67 BTN3A1 (0.41) LPAR2LPAR3BTN3A1
Itaconate SCHEMBL9056160 0.66 ALOX15 (0.50)
SCHEMBL7621893 0.66 LPAR3 (0.56) LPAR2LPAR3
SCHEMBL735649 0.65 TSHR (0.37) LPAR2LPAR3BTN3A1

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