SCHEMBL6507266

SCHEMBL6507266

CCOC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
AR P10275 3/20 0.45
MAPT P10636 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CTSL P07711 2/20 0.42
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 1/20 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
SCHEMBL5080014 1.00 KMT2A (0.47) KMT2AMAPK1ALDH1A1TDP1MEN1
SCHEMBL9776582 0.88 KMT2A (0.47) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL10615162 0.88 KMT2A (0.47) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL10696970 0.83 TSHR (0.46) KMT2AMEN1
SCHEMBL13902855 0.83 SMN1; SMN2 (0.44) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL10612008 0.82 KCNH2 (0.43) KMT2AMAPK1ALDH1A1TDP1MEN1
SCHEMBL10612121 0.81 ITGA4 (0.41) KMT2AALDH1A1MEN1
SCHEMBL7441323 0.79 LMNA (0.51) ALDH1A1ARMAPT
SCHEMBL605143 0.78 ALDH1A1 (0.51) KMT2AALDH1A1TDP1MAPTL3MBTL1
SCHEMBL8873387 0.78 ITGA4 (0.52) KMT2AALDH1A1MEN1RAB9AMAPT

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
WO-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed
WO-2005003134-A1 A NOVEL PROCESS FOR THE PREPARATION OF CILAZAPRIL HETERO DRUGS LIMITED (IN) 2005-01-13 WO disclosed
WO-2005003134-A1 A NOVEL PROCESS FOR THE PREPARATION OF CILAZAPRIL HETERO DRUGS LIMITED (IN) 2005-01-13 WO disclosed
US-5610153-A ENZYME INHIBITORS; TREATMENT OF VASCULAR PROLIFERATION DISORDERS, STERILITY DYSFUNCTION, DYSMENORRHEA CIBA-GEIGY CORPORATION (US) 1997-03-11 US disclosed
US-5098841-A Reduction of 2-oxo-4-phenylbutyric acid with the enzyme D lactate dehydrogenase from staphylococcus or from bovine heart CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed