SCHEMBL1758080

SCHEMBL1758080

Cc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
ACHE P22303 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
PDK2 Q15119 3/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
OPRD1 P41143 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MDM2 Q00987 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KIF11 P52732 2/20 0.36
GFER P55789 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL7320511 0.89 PDK2 (0.47) OPRM1OPRK1OPRL1LMNAPDK2
SCHEMBL7315720 0.87 KIF11 (0.46) OPRM1OPRK1OPRL1ACHELMNA
SCHEMBL7322612 0.84 CHRM3 (0.45) OPRM1OPRK1OPRL1LMNAPDK2
SCHEMBL7310248 0.84 BCHE (0.39) OPRM1OPRK1OPRL1ACHELMNA
SCHEMBL11451560 0.82 ELANE (0.44) PDK2TDP1MDM2KIF11GFER
SCHEMBL28617342 0.81 PDK2 (0.44) OPRM1OPRK1OPRL1PDK2KIF11
SCHEMBL30838726 0.81 PDK2 (0.44) OPRM1OPRK1OPRL1PDK2KIF11
SCHEMBL11910878 0.80 PDK2 (0.41) LMNAALOX12PDK2
SCHEMBL14564531 0.80 PDK2 (0.41) ALOX12PDK2P2RX1P2RX3P2RX4
SCHEMBL1758787 0.79 P2RX1 (0.53) OPRM1OPRK1OPRL1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676478-B1 Slime remover and slime preventing/removing agent NIPPON SODA CO (JP) 2011-08-24 EP claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
EP-1676478-A2 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. (JP) 2006-07-05 EP 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
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
EP-1113112-A1 SLIME REMOVER AND SLIME PREVENTING/REMOVING AGENT NIPPON SODA CO., LTD. (JP) 2001-07-04 EP claimed
EP-0326261-B1 Method of purifying a microbicide by separating the microbicide from a clathrate compound KURITA WATER IND LTD (JP) 1993-10-27 EP claimed
US-4996220-A Reacting microbiocide with powdery host; separating from clathrate to obtain high purity biocide KURITA WATER INDUSTRIES LTD. (JP) 1991-02-26 US claimed
US-4973700-A CLATHRATING KURITA WATER INDUSTRIES LTD. (JP) 1990-11-27 US claimed
EP-0332336-A2 Antimicrobial composition KURITA WATER INDUSTRIES LTD. (JP) 1989-09-13 EP claimed
EP-0326261-A2 Method of purifying a microbicide by separating the microbicide from a clathrate compound Kurita Water Industries Ltd. (JP) 1989-08-02 EP claimed
JP-62175401-A None JP disclosed
EP-1676478-B1 Slime remover and slime preventing/removing agent NIPPON SODA CO (JP) 2011-08-24 EP disclosed
US-4780317-A CLATHRATE COMPOSED OF MICROBIOCIDE AND DIHYDROXY AROMATIC COMPOUND KURITA WATER INDUSTRIES LTD. (JP) 1988-10-25 US disclosed
JP-S62175401-A SLOW-RELEASING ANTIBACTERIAL AGENT KURITA WATER IND LTD 1987-08-01 JP disclosed