SCHEMBL8963331

SCHEMBL8963331

Cc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1.[Ru]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ALOX12 P18054 2/20 0.34
EPHX1 P07099 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
NOS2 P35228 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
P2RX7 Q99572 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL205843 0.98 ROCK2 (0.38) ROCK2ALOX12EPHX1SIGMAR1GAA
Perchlorate SCHEMBL9676819 0.90 ROCK2 (0.35) ROCK2ALOX12EPHX1SIGMAR1GAA
SCHEMBL8960743 0.89 ROCK2 (0.34) ROCK2ALOX12EPHX1
Perchlorate SCHEMBL9676816 0.88 ROCK2 (0.33) ROCK2ALOX12EPHX1SIGMAR1GAA
SCHEMBL3929841 0.87 SIGMAR1 (0.35) ROCK2ALOX12EPHX1SIGMAR1LMNA
SCHEMBL12015428 0.87 HPGD (0.40) ROCK2ALOX12EPHX1SIGMAR1LMNA
SCHEMBL29584884 0.87 SIGMAR1 (0.35) ROCK2ALOX12EPHX1SIGMAR1LMNA
SCHEMBL8960858 0.86 ROCK2 (0.38) ROCK2SIGMAR1LMNAGRIN2DGRIN3B
SCHEMBL8961009 0.85 ROCK2 (0.34) ROCK2ALDH1A1TSHR
SCHEMBL645784 0.85 DDB1 (0.38) ROCK2ALOX12EPHX1SIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081484-A None JP disclosed
JP-8081485-A None JP disclosed
JP-H0881485-A NEW RUTHENIUM COMPLEX, ITS PRODUCTION AND ASYMMETRICALLY HYDROGENATING CATALYST CONTAINING THE SAME TAKASAGO INTERNATL CORP 1996-03-26 JP disclosed
JP-H0881484-A NEW RUTHENIUM COMPLEX, ITS PRODUCTION AND ASYMMETRICALLY HYDROGENATING CATALYST CONTAINING THE SAME TAKASAGO INTERNATL CORP 1996-03-26 JP disclosed
EP-0408340-B1 Ruthenium-optically active phoshine complex useful as catalyst TAKASAGO PERFUMERY CO LTD (JP) 1996-01-24 EP disclosed
EP-0408338-B1 Catalytic production of carboxylic acids and esters thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-09-27 EP disclosed
US-5087728-A Hydrogenating unsaturated compound using rhodium or ruthenium complex catalyst with specific diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-02-11 US disclosed
US-5021593-A Used as hydrogenation, silylation or isomerization catalysts TAKASAGO INTERNATIONAL CORPORATION (JP) 1991-06-04 US disclosed
EP-0408340-A2 Ruthenium-optically active phoshine complex useful as catalyst Takasago International Corporation (JP) 1991-01-16 EP disclosed
EP-0408338-A2 Catalytic production of carboxylic acids and esters thereof Takasago International Corporation (JP) 1991-01-16 EP disclosed