SCHEMBL1758324

SCHEMBL1758324

OC(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 1/20 0.39
CYP19A1 P11511 3/20 0.37
KMT2A Q03164 2/20 0.37
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
TSHR P16473 2/20 0.36
KCNN4 O15554 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4946065 0.89 CRHBP (0.44) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL11591149 0.87 CRHBP (0.53) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL13776777 0.84 CYP2C19 (0.53) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL17010934 0.82 HPGD (0.46) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL10331289 0.82 HSD17B10 (0.46) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL20323192 0.79 CYP3A4 (0.50) CYP2C9CYP1A2CYP2D6CYP2C19HIF1A
SCHEMBL11392792 0.79 RORC (0.43) CRHBPCRHR2CYP3A4CYP3A5CYP19A1
SCHEMBL9285749 0.79 ALDH1A1 (0.42) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL2241764 0.78 ALDH1A1 (0.50) CRHBPCRHR2CYP2C9CYP1A2CYP2D6
SCHEMBL28411006 0.78 CRHBP (0.47) CRHBPCRHR2CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
US-7098174-B2 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. (JP) 2006-08-29 US claimed
US-6927199-B2 Slime remover and slime preventing/removing agent containing a clathrate compound NIPPON SODA CO., LTD (JP) 2005-08-09 US claimed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 US claimed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 EP claimed
EP-0923867-B1 Antimicrobial compositions and their use KURITA WATER IND LTD (JP) 2003-11-05 EP claimed
US-6528467-B1 Clathrates such as 5-chloro-2-methyl-4-isothiazolin-3-one and pressure molded 1,1-bis(4-hydroxyphenyl)cyclohexane host compounds, used for unclogging drains NIPPON SODA CO., LTD. (JP) 2003-03-04 US claimed
US-20030032569-A1 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. 2003-02-13 US claimed
US-5091400-A CLATHRATE COMPOUND KURITA WATER INDUSTRIES LTD. (JP) 1992-02-25 US claimed
EP-0376205-A2 Host compound and clathrate compound KURITA WATER INDUSTRIES LTD. (JP) 1990-07-04 EP claimed
JP-3178906-A None JP disclosed
EP-2573148-A1 CURABLE POWDER COATING COMPOSITION, AND CURED PRODUCT OF SAME Nippon Soda Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130059942-A1 CURABLE POWDER COATING COMPOSITION, AND CURED PRODUCT OF SAME NIPPON SODA CO., LTD. (JP) 2013-03-07 US disclosed
EP-1676478-B1 Slime remover and slime preventing/removing agent NIPPON SODA CO (JP) 2011-08-24 EP disclosed
EP-1342706-A1 METHOD FOR PRODUCING MOLECULAR COMPOUND NIPPON SODA CO., LTD. (JP) 2003-09-10 EP disclosed
US-6528467-B1 Clathrates such as 5-chloro-2-methyl-4-isothiazolin-3-one and pressure molded 1,1-bis(4-hydroxyphenyl)cyclohexane host compounds, used for unclogging drains NIPPON SODA CO., LTD. (JP) 2003-03-04 US disclosed
US-5091400-A CLATHRATE COMPOUND KURITA WATER INDUSTRIES LTD. (JP) 1992-02-25 US disclosed
JP-H03178906-A PRODUCTION OF CLATHRATE COMPOUND KURITA WATER IND LTD 1991-08-02 JP disclosed
EP-0376205-A2 Host compound and clathrate compound KURITA WATER INDUSTRIES LTD. (JP) 1990-07-04 EP disclosed