SCHEMBL6368016

SCHEMBL6368016

O=C(O)C(Cc1ccc(O)cc1)NC(=O)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
CTSS P25774 3/20 0.53
GAA P10253 1/20 0.52
CTSL P07711 2/20 0.52
KMT2A Q03164 2/20 0.51
FOLH1 Q04609 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
CTSB P07858 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MME P08473 1/20 0.47
GFER P55789 1/20 0.46
ITGA4 P13612 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL6368020 1.00 POLB (0.60) POLBCTSSGAACTSLKMT2A
SCHEMBL7275964 0.89 POLB (0.74) POLBCTSSGAACTSLKMT2A
SCHEMBL5193787 0.89 POLB (0.74) POLBCTSSGAACTSLKMT2A
SCHEMBL6795468 0.88 POLB (0.65) POLBCTSSCTSLKMT2ACTSB
SCHEMBL6375227 0.88 POLB (0.60) POLBKMT2AFOLH1NAALAD2ALDH1A1
SCHEMBL6375231 0.88 POLB (0.60) POLBKMT2AFOLH1NAALAD2ALDH1A1
SCHEMBL6807325 0.85 POLB (0.61) POLBCTSSCTSLKMT2ACTSB
SCHEMBL6803415 0.85 BLM (0.56) POLBCTSSGAACTSLKMT2A
SCHEMBL4421309 0.84 POLB (0.56) POLBKMT2AFOLH1NAALAD2ALDH1A1
SCHEMBL4421315 0.84 POLB (0.56) POLBKMT2AFOLH1NAALAD2ALDH1A1

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-6903075-B1 Heterocyclic amide compounds as cell adhesion inhibitors MERCK & CO., INC. (US) 2005-06-07 US disclosed
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed