SCHEMBL8624879

SCHEMBL8624879

CC(C)C1(C(C)C)CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
SLC6A4 P31645 2/20 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 0.33
OPRK1 P41145 1/20 0.33
OPRM1 P35372 1/20 0.33
CACNA1C Q13936 1/20 0.33
TSHR P16473 1/20 0.31
CYP19A1 P11511 2/20 0.30
POLB P06746 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
SCHEMBL8622849 0.93
SCHEMBL8624073 0.82
SCHEMBL9663044 0.79 ALDH1A1 (0.35) ALDH1A1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL4759700 0.79 ALDH1A1 (0.35) ALDH1A1GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL8622752 0.79 GRIN2D (0.35) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL20494599 0.77 MME (0.34) ALDH1A1
SCHEMBL11457549 0.73 GRIN1 (0.34) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL8619794 0.71 CYP19A1 (0.33) CYP19A1
SCHEMBL14542801 0.70 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8160237 0.68 CA1 (0.34)

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
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
EP-0050229-B1 PROCESS FOR THE PREPARATION OF PRIMARY AROMATIC AMINES FROM CYCLIC ALCOHOLS AND/OR KETONES BASF Aktiengesellschaft (DE) 1983-09-28 EP disclosed