SCHEMBL8620532

SCHEMBL8620532

CCCCC1(CCCC)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 14/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
HSD17B3 P37058 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL8622076 0.93 SIRT2 (0.40) ESR2CYP19A1SIRT2HSD17B3
SCHEMBL8625738 0.91 SIRT2 (0.42) CYP19A1SIRT2
SCHEMBL8622062 0.87 SIRT2 (0.39) ESR2HSD17B10CYP19A1SIRT2HSD17B3
SCHEMBL8852255 0.86 ESR1 (0.33) ESR2CYP19A1ESR1
SCHEMBL8622049 0.85 SIRT2 (0.35) ESR2HSD17B10CYP19A1SIRT2
SCHEMBL10581919 0.84 SIRT2 (0.37) ESR2HSD17B10CYP19A1SIRT2
SCHEMBL8622095 0.81 SIRT2 (0.45) CYP19A1SIRT2
SCHEMBL8622131 0.79 SIRT2 (0.41) CYP19A1SIRT2
SCHEMBL8621156 0.79 SIRT2 (0.47) CYP19A1SIRT2
SCHEMBL8624874 0.78 SIRT2 (0.43) CYP19A1SIRT2

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