SCHEMBL5606014

SCHEMBL5606014

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.48
TFPI P10646 1/20 0.46
GNPAT O15228 1/20 0.45
KEAP1 Q14145 1/20 0.42
OPRL1 P41146 2/20 0.42
QRFPR Q96P65 1/20 0.42
NPY4R P50391 6/20 0.41
NPY5R Q15761 6/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 3/20 0.41
IL23R Q5VWK5 3/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL29536066 0.94 GNPAT (0.50) SIRT5TFPIGNPATKEAP1OPRL1
SCHEMBL29498977 0.93 TFPI (0.52) SIRT5TFPIOPRL1IL23R
SCHEMBL12711226 0.91 GNPAT (0.45) SIRT5TFPIGNPATKEAP1OPRL1
SCHEMBL29659724 0.89 TFPI (0.49) SIRT5TFPIGNPATOPRL1IL23R
SCHEMBL19791333 0.87 TFPI (0.41) SIRT5TFPIOPRL1QRFPRNPY4R
SCHEMBL19791191 0.87 TFPI (0.41) SIRT5TFPIOPRL1QRFPRNPY4R
SCHEMBL17732656 0.87 GNPAT (0.47) SIRT5TFPIGNPATNPY4RNPY5R
SCHEMBL26708100 0.87 GNPAT (0.49) SIRT5TFPIGNPATNPY4RNPY5R
SCHEMBL10532990 0.87 SIRT5 (0.45) SIRT5TFPIGNPATKEAP1OPRL1
SCHEMBL12070950 0.87 SIRT5 (0.53) SIRT5TFPIKEAP1NPY4RNPY5R

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-1567179-A4 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF TUMOR CELL ADHESION, PAIN AND INFLAMMATION OMEROS CORP (US) 2007-06-27 EP disclosed
EP-1567179-A1 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF TUMOR CELL ADHESION, PAIN AND INFLAMMATION Omeros Corporation (US) 2005-08-31 EP disclosed
WO-2004043479-A1 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF TUMOR CELL ADHESION, PAIN AND INFLAMMATION OMEROS CORPORATION (US) 2004-05-27 WO disclosed
US-20030195461-A1 Irrigation solution and methods for inhibition of tumor cell adhesion, pain and inflammation OMEROS CORPORATION 2003-10-16 US disclosed
US-6492332-B1 Irrigation solution and methods for inhibition of tumor cell adhesion, pain and inflammation OMEROS CORPORATION 2002-12-10 US disclosed