SCHEMBL8624874

SCHEMBL8624874

CCCCCCC1(CCCCCC)CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
PTPN1 P18031 1/20 0.36
ACP1 P24666 1/20 0.36
CDC25B P30305 1/20 0.36
CETP P11597 3/20 0.36
CYP19A1 P11511 12/20 0.35

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
SCHEMBL8622131 0.98 SIRT2 (0.41) SIRT2PTPN1ACP1CDC25BCETP
SCHEMBL5697005 0.95 SIRT2 (0.39) SIRT2PTPN1ACP1CDC25BCETP
SCHEMBL8621156 0.94 SIRT2 (0.47) SIRT2PTPN1ACP1CDC25BCYP19A1
SCHEMBL8622095 0.92 SIRT2 (0.45) SIRT2PTPN1ACP1CDC25BCYP19A1
SCHEMBL8622049 0.92 SIRT2 (0.35) SIRT2PTPN1ACP1CDC25BCETP
SCHEMBL6909148 0.90 SIRT2 (0.49) SIRT2PTPN1ACP1CDC25BCETP
SCHEMBL28848014 0.87 SIRT2 (0.35) SIRT2CETP
SCHEMBL8625738 0.86 SIRT2 (0.42) SIRT2CYP19A1
SCHEMBL8622062 0.86 SIRT2 (0.39) SIRT2CYP19A1
SCHEMBL6683846 0.86 SIRT2 (0.39) SIRT2PTPN1ACP1CDC25BCETP

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