SCHEMBL9230758

SCHEMBL9230758

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.35
LPAR2 Q9HBW0 7/20 0.35
LPAR1 Q92633 5/20 0.32
ENPP2 Q13822 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
SCHEMBL9055181 0.93 LPAR2 (0.34) LPAR3LPAR2
SCHEMBL4670993 0.78 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2
SCHEMBL7621893 0.73 LPAR3 (0.56) LPAR3LPAR2LPAR1ENPP2
SCHEMBL7624680 0.72 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL29804741 0.72 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL7621154 0.72 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL29870530 0.72 LPAR3 (0.59) LPAR3LPAR2LPAR1ENPP2
SCHEMBL2140462 0.68 LPAR3 (0.52) LPAR3LPAR2LPAR1ENPP2
SCHEMBL9056146 0.66 TSHR (0.32)
SCHEMBL28330673 0.65 LPAR3 (0.42) LPAR3LPAR2LPAR1ENPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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