SCHEMBL7812490

SCHEMBL7812490

CCCCOC(=O)NC(CCCC)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
RAB9A P51151 2/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 7/20 0.42
CTSK P43235 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH4 Q9H3N8 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL8141861 0.92 EPHX1 (0.44) SIRT2RAB9AEPHX1NPC1SMN1; SMN2
SCHEMBL4685971 0.88 SIRT2 (0.43) SIRT2RAB9AEPHX1NPC1SMN1; SMN2
SCHEMBL4631995 0.86 SMN1; SMN2 (0.39) SIRT2RAB9AEPHX1NPC1SMN1; SMN2
SCHEMBL7837870 0.85 CTSK (0.53) CTSKCTSS
SCHEMBL7837864 0.85 CTSK (0.53) CTSKCTSS
SCHEMBL7837866 0.85 CTSK (0.53) CTSKCTSS
SCHEMBL7278916 0.85 RAB9A (0.42) RAB9AEPHX1NPC1SMN1; SMN2ACHE
SCHEMBL7278909 0.85 RAB9A (0.42) RAB9AEPHX1NPC1SMN1; SMN2ACHE
SCHEMBL7382637 0.85 NOD1 (0.48) SIRT2EPHX1ACHECTSKCTSL
SCHEMBL1077922 0.85 NOD1 (0.48) SIRT2EPHX1ACHECTSKCTSL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383846-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS Sammut, Ivan Andrew (NZ) 2018-10-10 EP disclosed
WO-2017095237-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS SAMMUT IVAN ANDREW (NZ) 2017-06-08 WO disclosed
EP-0891353-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-08 EP disclosed
EP-0891353-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036892-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed