SCHEMBL8205341

SCHEMBL8205341

O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 4/20 0.57
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
SIRT1 Q96EB6 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
CTSL P07711 3/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL7115838 0.89 CTSL (0.58) SIRT5CTSLMMP3
SCHEMBL27987607 0.89 CTSL (0.58) SIRT5CTSLMMP3
SCHEMBL4011349 0.88 F2 (0.64) HDAC8CTSLF2PRSS1PRSS2
SCHEMBL22034417 0.88 SIRT5 (0.69) SIRT5HDAC3HDAC4HDAC1HDAC7
SCHEMBL22034415 0.88 SIRT5 (0.69) SIRT5HDAC3HDAC4HDAC1HDAC7
SCHEMBL1674876 0.87 SSTR3 (0.64) SIRT5HDAC3HDAC4HDAC1HDAC7
SCHEMBL22034624 0.85 SIRT5 (0.61) SIRT5HDAC3HDAC4HDAC1HDAC7
SCHEMBL22034622 0.85 SIRT5 (0.61) SIRT5HDAC3HDAC4HDAC1HDAC7
SCHEMBL5348200 0.84 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29897716 0.84 SIRT1 (0.60) SIRT5SIRT1SIRT2CTSLF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601005-B1 DETERGENT ENZYMES NOVO NORDISK AS (DK) 2000-11-22 EP disclosed
EP-0579710-B1 NOVEL PROTEASES FROM DENDRYPHIELLA NOVO NORDISK AS (DK) 1997-12-29 EP disclosed
US-5472865-A Protease from Dendryphiella arenaria DSM 6260 or Dendryphiella salina DSM 6332, process for making it and use as detergent additive NOVO NORDISK A/S (DK) 1995-12-05 US disclosed
EP-0601005-A1 DETERGENT ENZYMES NOVO NORDISK A/S (DK) 1994-06-15 EP disclosed
EP-0579710-A1 NOVEL PROTEASES FROM DENDRYPHIELLA NOVO NORDISK A/S (DK) 1994-01-26 EP disclosed
WO-1993004156-A1 DETERGENT ENZYMES NOVO NORDISK A/S (DK) 1993-03-04 WO disclosed
WO-1992018622-A1 NOVEL PROTEASES NOVO NORDISK A/S (DK) 1992-10-29 WO disclosed