SCHEMBL15710232

SCHEMBL15710232

C=C(C)C(=O)OC(CCC)COP(=O)(O)OP(=O)(O)OCC(CCC)OC(=O)C(=C)C.C=C(C)C(=O)OC(CCCC)COP(=O)(O)OP(=O)(O)OCC(CCCC)OC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.43
LPAR1 Q92633 5/20 0.43
PLA2G2A P14555 2/20 0.37
ENPP2 Q13822 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
FABP3 P05413 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
SMPD1 P17405 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL897718 0.97 LPAR3 (0.44) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL898942 0.95 LPAR3 (0.40) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL2679164 0.92 LPAR3 (0.48) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL12274757 0.92 LPAR3 (0.40) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL12273806 0.86 PLA2G2A (0.47) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL15752950 0.86 ENPP2 (0.47) LPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL12275291 0.84 TSHR (0.44) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL898473 0.83 LPAR3 (0.39) LPAR3LPAR1PLA2G2AENPP2SMN1; SMN2
SCHEMBL26105729 0.83 ENPP2 (0.43) LPAR3LPAR1ENPP2SMN1; SMN2TSHR
SCHEMBL26109390 0.82 LPAR3 (0.49) LPAR3LPAR1ENPP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833387-B2 Kit and method for indirect chairside production of composite inlays VOCO GMBH (DE) 2017-12-05 US disclosed
US-20140138864-A1 KIT AND METHOD FOR INDIRECT CHAIRSIDE PRODUCTION OF COMPOSITE INLAYS VOCO GMBH (DE) 2014-05-22 US disclosed