SCHEMBL4449326

SCHEMBL4449326

CC(N)CC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
PDE8B O95263 5/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4452843 0.94
SCHEMBL12089502 0.83 PDE8B (0.36) PDE8BUSP2SMN1; SMN2TP53HPGD
SCHEMBL12090067 0.83 PDE8B (0.36) PDE8BUSP2SMN1; SMN2TP53HPGD
SCHEMBL8860611 0.83 PDE8B (0.36) PDE8BUSP2SMN1; SMN2TP53HPGD
SCHEMBL797696 0.81 PDE8B (0.35) PDE8BUSP2SMN1; SMN2TP53HPGD
SCHEMBL13502926 0.80 ANPEP (0.34) ANPEPPDE8BUSP2SMN1; SMN2TP53
SCHEMBL4372558 0.80 PDE8B (0.36) ANPEPPDE8BUSP2SMN1; SMN2TP53
SCHEMBL23501590 0.79 USP2 (0.37) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL8861118 0.79 USP2 (0.33) PDE8BUSP2SMN1; SMN2TP53HPGD
SCHEMBL24435070 0.79 USP2 (0.33) PDE8BUSP2SMN1; SMN2TP53HPGD

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-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 WO disclosed