SCHEMBL6527345

SCHEMBL6527345

CC(C)CCc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.44
▸ PSMB5 P28074 2/20 0.41
▸ BACE1 P56817 6/20 0.40
▸ CTSD P07339 2/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ SPPL2A Q8TCT8 1/20 0.39
▸ PYGL P06737 2/20 0.38
▸ BCHE P06276 3/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMB2 P49721 1/20 0.37

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
SCHEMBL6526643 0.92 F2 (0.46) F2PSMB5BACE1CTSDBACE2
SCHEMBL6527142 0.89 BACE1 (0.43) F2BACE1CTSDBACE2BCHE
SCHEMBL5981669 0.88 BACE1 (0.42) F2BACE1CTSDBACE2SPPL2A
SCHEMBL6526544 0.87 CTSD (0.50) F2BACE1CTSDBCHE
SCHEMBL6529744 0.86 ITGA4 (0.44) BACE1CTSDBACE2
SCHEMBL8795656 0.83 LMNA (0.38) F2PSMB5
SCHEMBL6529408 0.81 F2 (0.41) F2BACE1CTSDBACE2BCHE
SCHEMBL6527555 0.80 BACE1 (0.43) F2BACE1BACE2BCHE
SCHEMBL7439104 0.80 BCHE (0.42) BACE1CTSDBCHE
SCHEMBL6528687 0.79 BACE1 (0.48) F2BACE1CTSDBCHE

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
JP-3657002-B2 — — 2005-06-08 — — JP claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 — — WO claimed
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