SCHEMBL8620148

SCHEMBL8620148

B.CC(C)[C@H](N)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
KCNN4 O15554 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP17A1 P05093 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL1131649 0.98 KCNA5 (0.49) KCNA5ALDH1A1CYP2D6KDM4ELMNA
SCHEMBL1131651 0.98 KCNA5 (0.49) KCNA5ALDH1A1CYP2D6KDM4ELMNA
SCHEMBL607719 0.98 KCNA5 (0.49) KCNA5ALDH1A1CYP2D6KDM4ELMNA
Hydrochloric Acid SCHEMBL6543858 0.96 KCNA5 (0.47) KCNA5ALDH1A1CYP2D6KDM4ELMNA
Hydrochloric Acid SCHEMBL6543863 0.96 KCNA5 (0.47) KCNA5ALDH1A1CYP2D6KDM4ELMNA
SCHEMBL1153624 0.81 TSHR (0.41) KCNA5ALDH1A1MEN1KMT2AKIF11
SCHEMBL1153620 0.81 TSHR (0.41) KCNA5ALDH1A1MEN1KMT2AKIF11
SCHEMBL9155987 0.81 TSHR (0.41) KCNA5ALDH1A1MEN1KMT2AKIF11
SCHEMBL2034432 0.80 CYP2D6 (0.52) KCNA5ALDH1A1CYP2D6KDM4ELMNA
SCHEMBL295338 0.80 CYP2D6 (0.52) KCNA5ALDH1A1CYP2D6KDM4ELMNA

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