Sugi Predict

Sugi Predict / Compounds / SCHEMBL5014950

SCHEMBL5014950

SCHEMBL5014950

O=C(O)CCNCCCNC(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.36
▸ NAALAD2 Q9Y3Q0 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ GNPAT O15228 2/20 0.35
▸ LTA4H P09960 2/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 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
SCHEMBL8661657 0.95 EPHX2 (0.36) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL5022754 0.89 FOLH1 (0.38) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL5022765 0.87 CA2 (0.36) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL2907971 0.87 CA2 (0.42) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL2129750 0.87 CA2 (0.42) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL8660075 0.86 CA2 (0.35) CA2CA4GNPAT
SCHEMBL8658149 0.86 CA2 (0.35) CA2CA4GNPAT
SCHEMBL23120296 0.85 GNPAT (0.41) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL23120307 0.85 GNPAT (0.41) FOLH1RIMKLANAALAD2CA2CA4
SCHEMBL4862378 0.85 FOLH1 (0.43) FOLH1RIMKLANAALAD2CA2CA4

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-20080115423-A1 Polishing Composition For Silicon Wafer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-22 — — US disclosed