SCHEMBL7276320

SCHEMBL7276320

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NC(C=O)CC(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.60
CASP3 P42574 2/20 0.51
CASP9 P55211 1/20 0.51
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRIA1 P42261 1/20 0.48
BACE1 P56817 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
F2 P00734 2/20 0.47
TFPI P10646 1/20 0.45
IL23R Q5VWK5 3/20 0.45
OPRD1 P41143 1/20 0.45
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPY4R P50391 1/20 0.43

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
SCHEMBL29946163 1.00 CASP1 (0.60) CASP1CASP3CASP9CASP7SMN1; SMN2
SCHEMBL7277278 0.93 SMN1; SMN2 (0.57) CASP1CASP3CASP9CASP7SMN1; SMN2
SCHEMBL9601523 0.91 CASP1 (0.51) CASP1CASP3CASP9CASP7SMN1; SMN2
SCHEMBL24739787 0.88 CASP1 (0.53) CASP1CASP3CASP9CASP7BACE1
SCHEMBL29611329 0.88 CASP1 (0.55) CASP1CASP3CASP9CASP7GRIA1
SCHEMBL26655866 0.88 CASP1 (0.53) CASP1CASP3CASP9CASP7BACE1
SCHEMBL29612183 0.87 BACE1 (0.57) CASP1GRIA1BACE1BACE2TFPI
SCHEMBL7277740 0.86 CASP1 (0.75) CASP1CASP3CASP9CASP7SMN1; SMN2
SCHEMBL4349143 0.86 CASP1 (0.75) CASP1CASP3CASP9CASP7SMN1; SMN2
SCHEMBL29611561 0.86 BACE1 (0.58) CASP1BACE1BACE2TFPIIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278061-A Affinity chromatography matrix useful in purifying interleukin-1β converting enzyme MERCK & CO., INC. (US) 1994-01-11 US claimed
EP-0529713-A1 Affinity chromatography matrix useful in purifying interleukin-1B converting enzyme MERCK & CO. INC. (US) 1993-03-03 EP claimed
US-6187550-B1 DETECTING MODULATORS OF SECRETORY PROCESSES; CULTURING GENETICALLY ENGINEERED CELLS, INCUBATE CELL WITH MODULATOR, MONITOR CELL FOR PREMATURE OR PROCESSED FORMS OF PREFERENTIAL SECRETORY PTOTEIN BASF AG 2001-02-13 US disclosed
EP-0519748-B1 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO INC (US) 1998-09-02 EP disclosed
US-5434248-A Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme MERCK & CO., INC. (US) 1995-07-18 US disclosed
US-5278061-A Affinity chromatography matrix useful in purifying interleukin-1β converting enzyme MERCK & CO., INC. (US) 1994-01-11 US disclosed
EP-0529713-A1 Affinity chromatography matrix useful in purifying interleukin-1B converting enzyme MERCK & CO. INC. (US) 1993-03-03 EP disclosed
EP-0519748-A2 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO. INC. (US) 1992-12-23 EP disclosed