SCHEMBL4544995

SCHEMBL4544995

[CH2-][NH2+]/C(C(=O)OCCc1ccc(OCCCCCCCCCCCCCCCCCC)cc1)=C(/O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 4/20 0.48
S1PR4 O95977 3/20 0.48
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 3/20 0.45
RARB P10826 3/20 0.43
PLA2G4A P47712 1/20 0.42

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
SCHEMBL4544988 1.00 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4TP53
SCHEMBL4544971 0.82 TSHR (0.46) TSHR
SCHEMBL4544983 0.82 TSHR (0.46) TSHR
SCHEMBL4544977 0.82 TSHR (0.46) TSHR
SCHEMBL4544972 0.82 TSHR (0.46) TSHR
SCHEMBL4544980 0.82 TSHR (0.46) TSHR
SCHEMBL4544984 0.80 HCAR2 (0.43) TP53TSHR
SCHEMBL4544974 0.74 HCAR2 (0.34)
SCHEMBL8006616 0.74 POLB (0.59) S1PR1S1PR3S1PR5S1PR4TP53
SCHEMBL3487635 0.74 FAAH (0.65) S1PR1S1PR3S1PR5S1PR4

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-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-8178267-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-15 US disclosed
US-20090291377-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed