SCHEMBL5548503

SCHEMBL5548503

CCC(C)C1CCCC2CCCCC21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SHBG P04278 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2985890 0.92 CYP1A2 (0.33) CYP1A2CYP2D6SHBG
SCHEMBL3000172 0.88 SHBG (0.31) SHBG
SCHEMBL2994630 0.87
SCHEMBL2992837 0.86 SHBG (0.30) SHBG
SCHEMBL3001697 0.84 SHBG (0.33) CYP1A2CYP2D6SHBGMEN1ALDH1A1
SCHEMBL11700062 0.83
SCHEMBL5547909 0.83 CYP1A2 (0.34) CYP1A2CYP2D6SHBG
SCHEMBL2994866 0.83 CYP1A2 (0.34) CYP1A2CYP2D6SHBG
SCHEMBL10603439 0.80 CTSK (0.31) MEN1KMT2A
SCHEMBL10770141 0.80 SHBG (0.38) CYP1A2CYP2D6SHBGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100416905-C Fuel cell with reformer JAPAN ENERGY CORP (JP) 2008-09-03 CN disclosed
US-20070184311-A1 Fuel cell with reformer JAPAN ENERGY CORPORATION (JP) 2007-08-09 US disclosed
CN-1816936-A Fuel cell with reformer JAPAN ENERGY CORP (JP) 2006-08-09 CN disclosed
EP-1662598-A1 FUEL CELL WITH REFORMER Japan Energy Corporation (JP) 2006-05-31 EP disclosed
EP-0835078-B1 USE OF FLUOROCHEMICAL LIQUIDS FOR THE MANUFACTURE OF MEDICAMENTS FOR CRYOGENIC ABLATION TREATMENT UNIV TEMPLE (US) 2005-03-09 EP disclosed
EP-1258292-B1 Oxidation catalytic system and oxidation process using same DAICEL CHEM (JP) 2004-05-19 EP disclosed
EP-0858835-B1 Oxidation catalytic system and oxidation process DAICEL CHEM (JP) 2003-05-07 EP disclosed
EP-0824962-B1 USE OF AN OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEM (JP) 2003-05-07 EP disclosed
EP-1258292-A1 Oxidation catalytic system and oxidation process using same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-20 EP disclosed
EP-0835078-A4 FLUOROCHEMICAL LIQUID AUGMENTED CRYOSURGERY UNIV TEMPLE (US) 2000-04-26 EP disclosed
US-5981420-A OXIDATION CATALYSTS SYSTEM CONSISTS OF AN N-HYDROXY OR N-OXY IMIDE COMPOUND AND A TRANSITION METAL COMPOUND EXCLUDING A POLYACID AS COCATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-09 US disclosed
US-5958821-A EPOXIDATION OF AN ALKENE USING A CYCLIC N-HYDROXYIMIDE AND A COCATALYST OF A COMPOUND OF A GROUP 2A OR TRANSITION METAL USING OXYGEN; CATALYST SELECTIVITY; FREE OF PHOSPHO-VANADOMOLYBDIC ACID OR TETRAPHENYLPORPHYRINTOATO MANGANESE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0858835-A1 Oxidation catalytic system and oxidation process Daicel Chemical Industries, Ltd. (JP) 1998-08-19 EP disclosed
US-5741248-A Fluorochemical liquid augmented cryosurgery TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-04-21 US disclosed
EP-0835078-A1 FLUOROCHEMICAL LIQUID AUGMENTED CRYOSURGERY Temple University of the Commonwealth System of Higher Education (US) 1998-04-15 EP disclosed
EP-0824962-A1 OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed
WO-1996039960-A1 FLUOROCHEMICAL LIQUID AUGMENTED CRYOSURGERY TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1996-12-19 WO disclosed