SCHEMBL8623671

SCHEMBL8623671

CC(C)CC1(CC(C)C)CCCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.31
PIK3CD O00329 1/20 0.31
SLC6A4 P31645 2/20 0.30
OPRK1 P41145 1/20 0.30
OPRM1 P35372 1/20 0.30
CACNA1C Q13936 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
SCHEMBL8619365 0.94 CYP19A1 (0.32) CYP19A1PIK3CD
SCHEMBL8620413 0.85 CYP19A1 (0.33) CYP19A1
SCHEMBL3534457 0.78 GRIN1 (0.35) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2692225 0.76 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4130871 0.74 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15658952 0.74 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5257298 0.72 GRIN1 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8038201 0.71 GRIN2D (0.32) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5803979 0.71 GRIN1 (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4433128 0.69 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852221-A Optically active β-aminoalkoxyborane complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-22 US disclosed
US-5808098-A REDUCING AGENT FROM AMINOALCOHOL NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-09-15 US disclosed
EP-0680484-B1 OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES NISSAN CHEMICAL IND LTD (JP) 1998-08-19 EP disclosed
US-5786485-A REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5767277-A REDUCING AGENT FOR A CARBONYL COMPOUND TO PRODUCE A 1,3-SYN-DIOL COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-06-16 US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO disclosed