Sugi Predict

Sugi Predict / Compounds / SCHEMBL11235338

SCHEMBL11235338

SCHEMBL11235338

CC(O)C(C)NCCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.37
▸ GRIA1 P42261 3/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PTGS1 P23219 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SLC6A6 P31641 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ BLM P54132 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
SCHEMBL11142110 0.88 PTGS1 (0.32) APPGRIA1PTGS1PDE4ALMNA
SCHEMBL355139 0.86 APP (0.38) APPGRIA1EPHX2PTGS1PDE4A
SCHEMBL918412 0.86 APP (0.38) APPGRIA1EPHX2PTGS1PDE4A
SCHEMBL355644 0.86 APP (0.38) APPGRIA1EPHX2PTGS1PDE4A
SCHEMBL918376 0.81 APP (0.41) APPGRIA1EPHX2PTGS1PDE4A
SCHEMBL11240505 0.79 KDM4E (0.36) APPGRIA1EPHX2
SCHEMBL23877812 0.78 APP (0.43) APPGRIA1EPHX2PTGS1PDE4A
SCHEMBL918217 0.77 APP (0.34) APPGRIA1EPHX2
SCHEMBL21518356 0.77 APP (0.41) APPGRIA1EPHX2PTGS1PDE4A
Tetramethylammonium Ion SCHEMBL10009563 0.76 APP (0.37) APPGRIA1EPHX2PTGS1PDE4A

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-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 — — US disclosed