SCHEMBL9055952

SCHEMBL9055952

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 7/20 0.40
BTN3A1 O00481 1/20 0.39
LPAR1 Q92633 5/20 0.33
ENPP2 Q13822 1/20 0.33
PGD P52209 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
TPI1 P60174 1/20 0.30

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
SCHEMBL2140462 0.85 LPAR3 (0.52) LPAR3LPAR2BTN3A1LPAR1ENPP2
SCHEMBL4670993 0.74 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2ALDH1A1
SCHEMBL31579105 0.74 BTN3A1 (0.41) LPAR3LPAR2BTN3A1ALDH1A1TSHR
SCHEMBL7621893 0.73 LPAR3 (0.56) LPAR3LPAR2LPAR1ENPP2ALDH1A1
SCHEMBL735649 0.72 TSHR (0.37) LPAR3LPAR2BTN3A1ALDH1A1TSHR
SCHEMBL29870530 0.71 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2ALDH1A1
SCHEMBL29804741 0.71 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2ALDH1A1
SCHEMBL7621154 0.71 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2ALDH1A1
SCHEMBL7624680 0.71 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2ALDH1A1
Maleic Acid SCHEMBL9055441 0.71 LPAR2 (0.36) LPAR3LPAR2PGDFNTAFNTB

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