SCHEMBL633271

SCHEMBL633271

NCCN(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.56
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
KIF11 P52732 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CES1 P23141 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL28306847 0.87 ADRA2C (0.49) ADRA2CHPGDMAPTTDP1ALDH1A1
SCHEMBL17685267 0.87 ADRA2C (0.48) ADRA2CHPGDMAPTTDP1ALDH1A1
SCHEMBL28257704 0.86 ADRA2C (0.47) ADRA2CHPGDMAPTALDH1A1KIF11
SCHEMBL9065743 0.85 ADRA2C (0.58) ADRA2CMAPTTDP1KIF11L3MBTL1
SCHEMBL28270584 0.84 ADRA2C (0.46) ADRA2CHPGDMAPTTDP1ALDH1A1
SCHEMBL14327337 0.83 ADRA2C (0.56) ADRA2CHPGDMAPTTDP1ALDH1A1
SCHEMBL9775729 0.82 PHLPP2 (0.42) ADRA2CHPGDMAPTTDP1ALDH1A1
SCHEMBL1246672 0.81 HDAC3 (0.45) ADRA2CHPGDMAPTTDP1ALDH1A1
SCHEMBL28959040 0.80 ROCK1 (0.46) CYP3A4CES1KMT2ACES2HDAC1
SCHEMBL1003843 0.80 ADRA2C (0.53) ADRA2CHPGDALDH1A1KMT2AMEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998055489-A1 MULTI-CONSTITUENT SYSTEM FOR MODIFYING, DEGRADING OR BLEACHING LIGNIN, MATERIALS CONTAINING LIGNIN OR SIMILAR SUBSTANCES, AND METHOD FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-12-10 WO claimed
EP-2394676-B1 COATINGS PREPARED FROM POLY(ETHYLENE OXIDE) AND PHOTO-INITIATOR-CONTAINING SCAFFOLDS COLOPLAST AS (DK) 2018-03-28 EP disclosed
CN-102516115-B As the antagonist of Opioid Receptors or the new compound of inverse agonist SMITHKLINE BEECHAN CORP. (US) 2016-05-11 CN disclosed
CN-103468108-B Coating composition COLOPLAST A/S (DK) 2016-03-02 CN disclosed
EP-2459242-B1 A MEDICAL DEVICE OF POLYOLEFIN COLOPLAST AS (DK) 2015-10-21 EP disclosed
EP-2104523-B1 COATINGS PREPARED FROM POLY(ETHYLENE OXIDE) AND PHOTO-INITATOR-CONTAINING SCAFFOLDS COLOPLAST AS (DK) 2015-08-26 EP disclosed
US-8932662-B2 Coatings prepared from poly(ethylene oxide) and photo-initator-containing scaffolds COLOPLAST A/S (DK) 2015-01-13 US disclosed
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 CN disclosed
CN-101522614-B Compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP 2014-06-25 CN disclosed
US-8568967-B2 Method for diagnosis of severity and prediction of recurrence in eosinophilic inflammatory disease TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-20100138937-A1 Method for diagnosis of severity and prediction of recurrence in eosinophilic inflammatory disease AROS ELECTRONICS AB (SE) 2010-06-03 US disclosed
US-20100049146-A1 COATINGS PREPARED FROM POLY(ETHYLENE OXIDE) AND PHOTO-INITATOR-CONTAINING SCAFFOLDS COLOPLAST A/S (DK) 2010-02-25 US disclosed
EP-2104523-A1 COATINGS PREPARED FROM POLY(ETHYLENE OXIDE) AND PHOTO-INITATOR-CONTAINING SCAFFOLDS Coloplast A/S (DK) 2009-09-30 EP disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN disclosed
WO-2008071796-A1 COATINGS PREPARED FROM POLY(ETHYLENE OXIDE) AND PHOTO-INITATOR-CONTAINING SCAFFOLDS COLOPLAST A/S (DK) 2008-06-19 WO disclosed
EP-1882937-A1 METHOD FOR DIAGNOSIS OF SEVERITY AND PREDICTION OF RECURRENCE IN EOSINOPHILIC INFLAMMATORY DISEASE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-30 EP disclosed
EP-1685183-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2006-08-02 EP disclosed
WO-2005049697-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2005-06-02 WO disclosed
WO-1998055489-A1 MULTI-CONSTITUENT SYSTEM FOR MODIFYING, DEGRADING OR BLEACHING LIGNIN, MATERIALS CONTAINING LIGNIN OR SIMILAR SUBSTANCES, AND METHOD FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-12-10 WO disclosed
EP-0162663-B1 PROCESS FOR PRODUCING HEAT-RESISTANT MOLDINGS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-08-28 EP disclosed