SCHEMBL6012084

SCHEMBL6012084

CC(C)(C)OC(=O)N1CCCC1CCCCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ FKBP1A P62942 6/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ KLK7 P49862 1/20 0.46
▸ EPHX2 P34913 2/20 0.45
▸ OPRD1 P41143 1/20 0.44

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
SCHEMBL13086597 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086353 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086595 0.99 MEN1 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086758 0.95 MEN1 (0.50) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL3046705 0.91 KLK7 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL2689602 0.91 KLK7 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL13086596 0.91 KLK7 (0.49) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL20056683 0.85 KLK7 (0.46) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL8188560 0.85 FKBP1A (0.52) MEN1NPC1RAB9AKMT2AFKBP1A
SCHEMBL8918708 0.85 ACE2 (0.44) STAT6KLK7OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578777-A4 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2006-08-16 — — EP disclosed
EP-1578777-A2 IAP BINDING COMPOUNDS The Trustees of Princeton University (US) 2005-09-28 — — EP disclosed
WO-2004007529-A2 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-01-22 — — WO disclosed
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