SCHEMBL3871588

SCHEMBL3871588

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.53
▸ CTSB P07858 3/20 0.44
▸ CTSD P07339 3/20 0.41
▸ CTSE P14091 3/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ CXCL8 P10145 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ REN P00797 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ XPNPEP2 O43895 1/20 0.39
▸ ACE P12821 1/20 0.39

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
SCHEMBL3212823 0.89 CAPN1 (0.61) CAPN1CTSB
SCHEMBL29794045 0.82 CAPN1 (0.44) CAPN1CTSBOPRK1RENACE
SCHEMBL5521229 0.79 CAPN1 (0.51) CAPN1CTSBOPRK1RENMEN1
SCHEMBL5521222 0.79 CAPN1 (0.51) CAPN1CTSBOPRK1RENMEN1
SCHEMBL5273015 0.78 OPRK1 (0.51) OPRK1NTSR2NTSR1ACE
SCHEMBL5273011 0.78 OPRK1 (0.51) OPRK1NTSR2NTSR1ACE
SCHEMBL30522298 0.77 CAPN1 (0.51) CAPN1CTSBRENMEN1KMT2A
SCHEMBL30060350 0.77 CAPN1 (0.49) CAPN1CTSBOPRK1RENMEN1
SCHEMBL30498898 0.77 CAPN1 (0.49) CAPN1CTSBRENMEN1KMT2A
SCHEMBL30661451 0.76 MEN1 (0.47) OPRK1RENMEN1KMT2AACE

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
EP-2040758-A2 BIORESPONSIVE POLYMERS Interface Biologics Inc. (CA) 2009-04-01 — — EP disclosed
WO-2008053362-A2 BIORESPONSIVE POLYMERS INTERFACE BIOLOGICS, INC. (CA) 2008-05-08 — — WO disclosed
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