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Sugi Predict / Compounds / SCHEMBL3469031

SCHEMBL3469031

SCHEMBL3469031

COCCCOc1cc(C(=O)O)cc(N(C)S(=O)(=O)C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.41
▸ HCAR3 P49019 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL7880963 0.94 BACE1 (0.42) BACE1HCAR3FFAR4MAPT
SCHEMBL7880567 0.84 BACE1 (0.37) BACE1
SCHEMBL7875153 0.79 BACE1 (0.45) BACE1FFAR4
SCHEMBL89628 0.76 KDM4E (0.50) HCAR3FFAR4PLA2G2A
SCHEMBL3346038 0.74 TTR (0.35) BACE1MAPK1
SCHEMBL2026818 0.73 BACE1 (0.68) BACE1
SCHEMBL3216400 0.72 TAS1R3 (0.39) HCAR3FFAR4PLA2G2A
SCHEMBL88994 0.71 PLA2G2A (0.40) HCAR3FFAR4PLA2G2AMAPT
SCHEMBL7946697 0.71 BACE1 (0.34) BACE1
SCHEMBL3350177 0.70 KDM4C (0.44) MAPT

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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 — — WO disclosed
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 — — WO disclosed