SCHEMBL11452448

SCHEMBL11452448

CCc1c(CC)c(CP(=O)(O)O)c(CC)c(CC)c1CP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 4/20 0.48
▸ PGK2 P07205 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ENPP2 Q13822 1/20 0.36
▸ FDPS P14324 3/20 0.35
▸ LAP3 P28838 1/20 0.35
▸ LPAR3 Q9UBY5 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ PTPRB P23467 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
SCHEMBL6519625 1.00 PGK1 (0.48) PGK1PGK2SMN1; SMN2ENPP2FDPS
SCHEMBL11121515 0.85 PGK1 (0.52) PGK1PGK2SMN1; SMN2KDM4EMMP2
SCHEMBL3890475 0.77 PGK1 (0.55) PGK1PGK2SMN1; SMN2ENPP2PTPRB
SCHEMBL11320696 0.74 PGK1 (0.62) PGK1PGK2SMN1; SMN2ENPP2KDM4E
SCHEMBL6571879 0.72 PGK1 (0.60) PGK1PGK2SMN1; SMN2ENPP2KDM4E
SCHEMBL13742442 0.72 PGK1 (0.60) PGK1PGK2SMN1; SMN2ENPP2KDM4E
SCHEMBL1556934 0.71 ACP3 (0.52) PGK1PGK2SMN1; SMN2ENPP2MMP2
SCHEMBL13512948 0.69 PGK1 (0.44) PGK1PGK2SMN1; SMN2KDM4EMMP2
SCHEMBL9168205 0.69 SMN1; SMN2 (0.56) PGK1PGK2SMN1; SMN2KDM4EMMP2
SCHEMBL9499566 0.69 FDPS (0.38) PGK1PGK2FDPSLAP3LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9570691-B2 Ambient temperature liquid-form organic materials and use thereof NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2017-02-14 — — US disclosed
US-20130234125-A1 AMBIENT TEMPERATURE LIQUID-FORM ORGANIC MATERIALS AND USE THEREOF NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-09-12 — — US disclosed
US-RE30235-E FOR ELECTROPHORETIC MIGRATION IMAGING PROCESSES EASTMAN KODAK COMPANY (US) 1980-03-18 — — US disclosed
US-4012376-A Photosensitive colorant materials EASTMAN KODAK COMPANY (US) 1977-03-15 — — US disclosed
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