SCHEMBL5675554

SCHEMBL5675554

Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(C)C)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPY4R P50391 4/20 0.41
NPY1R P25929 3/20 0.41
NPY2R P49146 3/20 0.41
NPY5R Q15761 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL29419658 1.00 TDP1 (0.42) TDP1OPRM1OPRD1CA12CA1
SCHEMBL29543547 0.98 TDP1 (0.44) TDP1CA12CA1CA9KDM4E
SCHEMBL15571611 0.98 TDP1 (0.44) TDP1CA12CA1CA9KDM4E
SCHEMBL30276268 0.93 TDP1 (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL4755762 0.90 KDM4E (0.53) TDP1CA12CA1CA9BACE1
SCHEMBL29364275 0.90 KDM4E (0.53) TDP1CA12CA1CA9BACE1
SCHEMBL1193133 0.87 TDP1 (0.39) TDP1CA12CA1CA9KDM4E
SCHEMBL30607050 0.85 TDP1 (0.49) TDP1CA12CA1CA9KDM4E
SCHEMBL29544088 0.85 CA12 (0.49) TDP1CA12CA1CA9KDM4E
SCHEMBL17312337 0.85 TDP1 (0.49) TDP1CA12CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611235-A1 NOVEL ALKALINE PROTEASE Forskarpatent i Syd AB (SE) 2006-01-04 EP disclosed
WO-2004085639-A9 NOVEL ALKALINE PROTEASE FORSKARPATENT I SYD AB (SE) 2005-11-10 WO disclosed
WO-2004085639-A1 NOVEL ALKALINE PROTEASE FORSKARPATENT I SYD AB (SE) 2004-10-07 WO disclosed
WO-1999022756-A1 CELL-PERMEABLE PROTEIN INHIBITORS OF CALPAIN NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 1999-05-14 WO disclosed