SCHEMBL4553010

SCHEMBL4553010

CC/C=C/CCC(=O)CC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
CYP19A1 P11511 4/20 0.50
MAPT P10636 4/20 0.50
PPARG P37231 3/20 0.50
OXER1 Q8TDS5 3/20 0.50
RXRA P19793 2/20 0.50
FFAR1 O14842 2/20 0.50
CNR1 P21554 2/20 0.44
FAAH O00519 1/20 0.44
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
PPARA Q07869 3/20 0.42
PTGS1 P23219 3/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
NR1I2 O75469 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL4553011 1.00 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL4708110 0.89 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL4708111 0.89 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL15241269 0.89 ALDH1A1 (0.56) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL572040 0.84 TDP1 (0.39) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL572041 0.84 TDP1 (0.39) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL5698154 0.83 ALDH1A1 (0.47) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL5698155 0.83 ALDH1A1 (0.47) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL28428639 0.83 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL15678968 0.83 ALDH1A1 (0.67) ALDH1A1CYP19A1MAPTPPARGOXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 WO disclosed
EP-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
EP-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
US-5753669-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed